{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ti" "Ti" ] } "a" { "source-value" [ 4.93638 4.605624 4.400635 4.2517 4.134654 4.038222 3.956218 3.884882 3.821755 3.765141 3.71382 3.666888 3.623652 3.583573 3.54622 3.511246 3.478367 3.447345 3.417982 3.390109 3.363583 3.338279 3.314089 3.29092 3.267497 3.24336 3.218463 3.192757 3.166188 3.138696 3.110215 3.080669 3.049978 3.018048 2.984775 2.950042 2.913714 2.875637 2.835635 2.793503 2.749 2.701845 2.651701 2.598162 2.540737 2.478816 2.411636 2.338218 2.257284 2.16712 2.065346 1.948521 1.811412 1.64546 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.936379999999999e-10 4.605624e-10 4.4006350000000006e-10 4.2517e-10 4.1346540000000005e-10 4.0382220000000004e-10 3.956218e-10 3.884882e-10 3.8217550000000003e-10 3.765141e-10 3.7138200000000003e-10 3.6668880000000003e-10 3.623652e-10 3.583573e-10 3.5462200000000003e-10 3.511246e-10 3.478367e-10 3.447345e-10 3.417982e-10 3.390109e-10 3.3635830000000004e-10 3.3382790000000003e-10 3.314089e-10 3.29092e-10 3.2674970000000004e-10 3.24336e-10 3.218463e-10 3.192757e-10 3.166188e-10 3.138696e-10 3.1102150000000004e-10 3.080669e-10 3.049978e-10 3.018048e-10 2.984775e-10 2.950042e-10 2.9137140000000003e-10 2.8756370000000003e-10 2.835635e-10 2.793503e-10 2.749e-10 2.7018450000000003e-10 2.651701e-10 2.598162e-10 2.540737e-10 2.478816e-10 2.4116360000000003e-10 2.338218e-10 2.2572839999999999e-10 2.16712e-10 2.065346e-10 1.948521e-10 1.811412e-10 1.64546e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.44857 2.01672 2.43509 2.77029 3.04854 3.28439 3.48698 3.66249 3.81539 3.94898 4.06586 4.16803 4.25716 4.33459 4.40146 4.45872 4.50719 4.54758 4.58049 4.60648 4.62602 4.63953 4.64739 4.64994 4.6472 4.63836 4.6223 4.59771 4.56303 4.51637 4.45547 4.37755 4.27925 4.15644 4.00399 3.81555 3.58309 3.29647 2.94273 2.50508 1.96153 1.28296 0.430144 -0.650684 -2.03446 -3.82816 -6.18823 -9.35048 -13.6828 -19.7839 -28.6791 -42.243 -64.2001 -102.839 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.3208650067133796e-19 3.2311416613204796e-19 3.90144429968706e-19 4.43849390740386e-19 4.88429955581436e-19 5.26217291494326e-19 5.58675787922532e-19 5.86795590025866e-19 6.11292870759726e-19 6.32696348413332e-19 6.514225889115239e-19 6.677920275811019e-19 6.82072227919944e-19 6.9447788159700605e-19 7.05191636748564e-19 7.143657001548479e-19 7.221314502998459e-19 7.28602641724572e-19 7.33875405027066e-19 7.38039462098832e-19 7.411701152416679e-19 7.433346558742019e-19 7.445939667085259e-19 7.450025217501959e-19 7.445635253524799e-19 7.431472012080239e-19 7.4057410553382e-19 7.36634353190814e-19 7.31078004624102e-19 7.23602248449858e-19 7.13844992748798e-19 7.0136083241667e-19 6.8561143610445e-19 6.659351048622959e-19 6.41509922076966e-19 6.113185055858699e-19 5.740743075519059e-19 5.28152720868198e-19 4.71477324617082e-19 4.0135806423007197e-19 3.1427175328900196e-19 2.05552853435664e-19 6.89166666055296e-20 -1.042510700917656e-19 -3.25956427480764e-19 -6.133388503213439e-19 -9.914637511817819e-19 -1.4981120572684318e-18 -2.19222624476952e-18 -3.1697302309392597e-18 -4.594898390414939e-18 -6.7680747550062e-18 -1.028599001204634e-17 -1.64766242863926e-17 ] } }