{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.3247 8.699911 8.312692 8.031357 7.810262 7.628104 7.473201 7.338449 7.219203 7.11226 7.015317 6.926664 6.844992 6.769283 6.698724 6.63266 6.570552 6.511952 6.456486 6.403835 6.353728 6.305929 6.260236 6.21647 6.172225 6.12663 6.079601 6.031043 5.980855 5.928924 5.875122 5.819312 5.761337 5.701022 5.638171 5.57256 5.503937 5.432011 5.356449 5.276862 5.192798 5.103723 5.009002 4.90787 4.799395 4.682428 4.555525 4.41684 4.26396 4.093643 3.901393 3.680715 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.3247e-10 8.699911000000001e-10 8.312692e-10 8.031357000000001e-10 7.810262e-10 7.628104000000001e-10 7.473201000000001e-10 7.338449e-10 7.219203e-10 7.11226e-10 7.015317e-10 6.926664e-10 6.844992e-10 6.769283e-10 6.698724e-10 6.63266e-10 6.570552e-10 6.511952e-10 6.456486e-10 6.403835e-10 6.353728e-10 6.305929e-10 6.260236e-10 6.21647e-10 6.172225e-10 6.12663e-10 6.079601000000001e-10 6.031043e-10 5.980855000000001e-10 5.928924e-10 5.875122e-10 5.819312e-10 5.761337e-10 5.701022e-10 5.638171e-10 5.572560000000001e-10 5.503936999999999e-10 5.432011e-10 5.356448999999999e-10 5.276862000000001e-10 5.192798e-10 5.103723e-10 5.009002e-10 4.90787e-10 4.799394999999999e-10 4.682428e-10 4.5555250000000007e-10 4.41684e-10 4.26396e-10 4.0936430000000005e-10 3.9013930000000004e-10 3.680715e-10 ] } "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 ] ] } "cohesive-potential-energy" { "source-value" [ 1.63549 2.47505 3.08555 3.54352 3.87624 4.11918 4.30231 4.43931 4.54217 4.62273 4.69025 4.75481 4.82351 4.9005 4.98296 5.06569 5.14414 5.21488 5.27739 5.33252 5.38084 5.42189 5.45636 5.47327 5.44675 5.36615 5.25143 5.1294 5.02769 4.95155 4.89777 4.86244 4.83957 4.81543 4.76906 4.67391 4.49913 4.21206 3.77254 3.1297 2.21667 0.945138 -0.815027 -3.23926 -6.55791 -11.0602 -16.8221 -23.916 -32.6148 -43.6437 -57.8663 -78.4431 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.62034386314066e-19 3.9654672779816995e-19 4.9435961130387e-19 5.67734494611168e-19 6.21042115577616e-19 6.59965394724012e-19 6.89306055422454e-19 7.112558753082539e-19 7.277358641655779e-19 7.406429991290819e-19 7.514608957618499e-19 7.618045481109539e-19 7.728115015865339e-19 7.851466594916999e-19 7.98358208015664e-19 8.116130153087459e-19 8.24182091002476e-19 8.355158885113919e-19 8.455310946505259e-19 8.543638944337679e-19 8.62105611929256e-19 8.68682547011826e-19 8.74205249869224e-19 8.76914530557318e-19 8.726655581239499e-19 8.5975201445391e-19 8.413718441086619e-19 8.2182048264396e-19 8.055247440995459e-19 7.9332577120827e-19 7.84709265270618e-19 7.79048775222696e-19 7.75384597260738e-19 7.715169428662619e-19 7.640876498144039e-19 7.48842939141894e-19 7.208400959328419e-19 6.748464113006039e-19 6.044275438830359e-19 5.0143322114298e-19 3.55149687928878e-19 1.514278019505492e-19 -1.305817215479118e-19 -5.18986668345084e-19 -1.050693016987494e-18 -1.77203940073668e-18 -2.6951975554811396e-18 -3.8317656378744e-18 -5.22546704825832e-18 -6.99249163613058e-18 -9.27120337560342e-18 -1.256797019185254e-17 ] } }