{ "short-name" { "source-value" [ "diamond" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 3.13739787357e-10 "source-value" 3.13739787357 } "wyckoff-species" { "source-value" [ "Si" ] } "wyckoff-multiplicity-and-letter" { "source-value" [ "8a" ] } "shear-plane-normal" { "source-value" [ 1 1 1 ] } "property-id" "tag:staff@noreply.openkim.org,2015-05-26:property/cohesive-energy-lattice-invariant-shear-path-cubic-crystal" "shear-direction" { "source-value" [ -1 1 0 ] } "space-group" { "source-value" "Fd-3m" } "cohesive-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" [ -8.696953194363607e-19 2.9760734472003773e-18 2.8958550176664546e-18 2.7948161427275742e-18 2.70700944582998e-18 2.623292823862203e-18 2.5477445901754868e-18 2.4803286541392714e-18 2.420759496664494e-18 1.4905376766045298e-18 1.4898792451391398e-18 1.489930324452423e-18 1.4907348369346969e-18 1.4922482520093986e-18 1.494410527306575e-18 1.497151358034365e-18 1.5003955141497553e-18 1.5040680096212342e-18 1.5080988440704971e-18 1.5124270852786964e-18 1.5169915187234634e-18 1.5203790340780946e-18 1.5230791510946848e-18 1.5253747992642247e-18 1.5261561697471702e-18 1.5265021939147938e-18 1.5266183882494288e-18 1.5263974126853171e-18 1.526397764523303e-18 1.5265166583653264e-18 1.524170204694488e-18 1.5230113213452665e-18 1.5221650971559762e-18 1.5216452632609097e-18 1.5214164908644904e-18 1.5214392084472323e-18 1.521634132939925e-18 1.52168858243173e-18 1.5214343395926992e-18 1.52075808343175e-18 1.5195715511603657e-18 1.5178243077004827e-18 1.5153799712920437e-18 1.512282361786063e-18 1.508609985035872e-18 1.5046108932302556e-18 1.4997889119765244e-18 1.495869967454187e-18 1.4912942532440507e-18 1.488550803438139e-18 1.4871654136508932e-18 1.488175562137876e-18 1.4912724328802166e-18 1.496030249203332e-18 1.5005869540685156e-18 1.504911539590319e-18 1.5090817618034152e-18 1.5126974780580648e-18 1.515526138025377e-18 1.51803209494774e-18 1.5198159721760578e-18 1.52075808343175e-18 1.5214343395926992e-18 1.52168858243173e-18 1.521634132939925e-18 1.5214392084472323e-18 1.5214164908644904e-18 1.5216452632609097e-18 1.5221650971559762e-18 1.5230113213452665e-18 1.524170204694488e-18 1.5254607711003908e-18 1.5264135413167056e-18 1.5264613356872633e-18 1.5265532370188852e-18 1.5265572495100142e-18 1.526079531551126e-18 1.5250703640768883e-18 1.5231533587887951e-18 1.5203790340780946e-18 1.5169400313357953e-18 1.5124270852786964e-18 1.5080988440704971e-18 1.5040680096212342e-18 1.5003955141497553e-18 1.497151358034365e-18 1.494410527306575e-18 1.4922482520093986e-18 1.4907348369346969e-18 1.489930324452423e-18 1.4898792451391398e-18 1.4905376766045298e-18 1.4306497090535566e-18 1.4321583030185883e-18 1.43401431808904e-18 1.4361951451495265e-18 1.4386793997884729e-18 1.4414359996192171e-18 1.443962846361233e-18 1.4462629013175682e-18 1.4478073838786886e-18 ] "source-value" [ -5.428211273 18.57518958 18.07450552 17.44387046 16.89582416 16.3733061 15.90177111 15.48099393 15.10919249 9.303204511 9.299094905 9.299413717 9.304435089 9.313881083 9.327376944 9.344483864 9.364732294 9.387654208 9.412812698 9.439827455 9.468316408 9.489459616 9.506312421 9.52064073 9.525517661 9.527677374 9.528402602 9.527023381 9.527025577 9.527767654 9.513122242 9.505889061 9.500607345 9.497362797 9.495934912 9.496076704 9.497293327 9.497633174 9.496046315 9.491825456 9.484419704 9.473514268 9.45825792 9.438924162 9.416002989 9.391042621 9.360946181 9.336486053 9.307926691 9.290803424 9.282156501 9.288461352 9.307790499 9.337486453 9.365927168 9.392919108 9.418947588 9.441515114 9.459170221 9.474811174 9.48594526 9.491825456 9.496046315 9.497633174 9.497293327 9.496076704 9.495934912 9.497362797 9.500607345 9.505889061 9.513122242 9.521177324 9.527124048 9.527422357 9.52799596 9.528021004 9.525039323 9.518740595 9.506775589 9.489459616 9.467995049 9.439827455 9.412812698 9.387654208 9.364732294 9.344483864 9.327376944 9.313881083 9.304435089 9.299413717 9.299094905 9.303204511 8.929413215 8.938829118 8.950413453 8.964025105 8.979530603 8.996735946 9.012507283 9.026863097 9.036502999 ] } "shear-parameter" { "source-value" [ 0.0 0.01 0.02 0.03 0.04 0.05 0.06 0.07 0.08 0.09 0.1 0.11 0.12 0.13 0.14 0.15 0.16 0.17 0.18 0.19 0.2 0.21 0.22 0.23 0.24 0.25 0.26 0.27 0.28 0.29 0.3 0.31 0.32 0.33 0.34 0.35 0.36 0.37 0.38 0.39 0.4 0.41 0.42 0.43 0.44 0.45 0.46 0.47 0.48 0.49 0.5 0.51 0.52 0.53 0.54 0.55 0.56 0.57 0.58 0.59 0.6 0.61 0.62 0.63 0.64 0.65 0.66 0.67 0.68 0.69 0.7 0.71 0.72 0.73 0.74 0.75 0.76 0.77 0.78 0.79 0.8 0.81 0.82 0.83 0.84 0.85 0.86 0.87 0.88 0.89 0.9 0.91 0.92 0.93 0.94 0.95 0.96 0.97 0.98 0.99 1.0 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "wyckoff-coordinates" { "source-value" [ [ 0 0 0 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "instance-id" 1 }