{ "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 9.14531 8.53254 8.152769 7.876846 7.660003 7.48135 7.329427 7.197266 7.080314 6.975429 6.880351 6.793402 6.713302 6.639049 6.569848 6.505054 6.444141 6.386668 6.332269 6.280631 6.231487 6.184608 6.139794 6.09687 6.067649 6.036894 6.004437 5.970078 5.93358 5.894658 5.852968 5.808085 5.75948 5.70648 5.648209 5.583501 5.510758 5.427695 5.330893 5.21489 5.070132 4.8775 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.145310000000001e-10 8.53254e-10 8.152768999999999e-10 7.876846e-10 7.660003e-10 7.48135e-10 7.329427e-10 7.197266e-10 7.080314000000001e-10 6.975429e-10 6.880351e-10 6.793402e-10 6.713302e-10 6.639049000000001e-10 6.569848e-10 6.505054e-10 6.444141e-10 6.386668e-10 6.332269e-10 6.280631e-10 6.231487000000001e-10 6.184608e-10 6.139794e-10 6.096870000000001e-10 6.067649000000001e-10 6.036894e-10 6.004437000000001e-10 5.970078e-10 5.93358e-10 5.894658e-10 5.852967999999999e-10 5.808085e-10 5.75948e-10 5.70648e-10 5.648209e-10 5.583501000000001e-10 5.510758e-10 5.427695e-10 5.330893e-10 5.21489e-10 5.070132e-10 4.877500000000001e-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" [ 1.37074 1.9874 2.37529 2.65419 2.86855 3.03984 3.18019 3.29712 3.39565 3.4793 3.55064 3.61162 3.66374 3.70819 3.74594 3.77776 3.80432 3.82615 3.84373 3.85744 3.86764 3.87461 3.87863 3.87993 3.87931 3.8773 3.87361 3.86788 3.85967 3.84839 3.83331 3.81342 3.78741 3.75346 3.709 3.65033 3.57184 3.46471 3.31416 3.09345 2.74847 2.14871 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.196167581195392e-19 3.18416581617792e-19 3.8056341056200324e-19 4.252481165161152e-19 4.59592374559584e-19 4.870360578972672e-19 5.095226067701952e-19 5.282568579972096e-19 5.44043104241952e-19 5.57445311674944e-19 5.688752396877312e-19 5.786453127213696e-19 5.869958572689792e-19 5.941175323484352e-19 6.001657490919553e-19 6.052638750993408e-19 6.095192562041857e-19 6.13016807767392e-19 6.158334342667584e-19 6.180300184138752e-19 6.196642385670913e-19 6.207809556717889e-19 6.214250306733504e-19 6.216333136340544e-19 6.215339786835648e-19 6.21211941182784e-19 6.206207380097088e-19 6.197026908059904e-19 6.183873038003136e-19 6.165800485720512e-19 6.141639662278849e-19 6.109772369291136e-19 6.068099755384128e-19 6.013705859107968e-19 5.9424730865472005e-19 5.8484733842048645e-19 5.722718541238272e-19 5.551077359851968e-19 5.309869669590529e-19 4.95625326761376e-19 4.403534376970176e-19 3.442612926879168e-19 ] } }