{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" ] } "a" { "source-value" [ 6.74005 6.288442 6.008554 5.8052 5.645389 5.513722 5.401756 5.304355 5.218162 5.140862 5.07079 5.00671 4.947676 4.892952 4.841951 4.794199 4.749306 4.706949 4.666858 4.628801 4.592582 4.558032 4.525005 4.49337 4.471834 4.449168 4.425248 4.399925 4.373026 4.344341 4.313615 4.280537 4.244716 4.205654 4.162709 4.11502 4.061408 4.000191 3.928849 3.843354 3.736669 3.5947 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.74005e-10 6.288442e-10 6.008554e-10 5.805200000000001e-10 5.645389e-10 5.513722e-10 5.401756e-10 5.304355e-10 5.218162000000001e-10 5.140862000000001e-10 5.07079e-10 5.00671e-10 4.947676000000001e-10 4.892952000000001e-10 4.841951e-10 4.794199000000001e-10 4.749306e-10 4.706949e-10 4.666858000000001e-10 4.6288010000000004e-10 4.592582e-10 4.558032e-10 4.5250050000000004e-10 4.49337e-10 4.4718340000000005e-10 4.449168e-10 4.425248e-10 4.3999249999999997e-10 4.3730260000000003e-10 4.3443410000000003e-10 4.3136150000000006e-10 4.280537e-10 4.2447160000000003e-10 4.205654e-10 4.162709000000001e-10 4.1150200000000004e-10 4.061408e-10 4.000191e-10 3.928849e-10 3.843354e-10 3.736669e-10 3.5947e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 2.39291 3.31071 3.98143 4.50965 4.94183 5.30359 5.61089 5.87447 6.10198 6.2991 6.47019 6.61866 6.73496 6.84467 6.94003 7.02121 7.08956 7.14621 7.19215 7.22825 7.25526 7.27385 7.28462 7.2881 7.28644 7.281 7.27104 7.25558 7.23345 7.20309 7.16255 7.10923 7.03969 6.94922 6.83127 6.67642 6.47065 6.19223 5.80543 5.24718 4.39427 2.96661 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.83386448926494e-19 5.30434220395014e-19 6.37895411590662e-19 7.225255857518099e-19 7.91768455520022e-19 8.49728797431606e-19 8.98963685394426e-19 9.411938571133978e-19 9.77644977713532e-19 1.00922708352294e-18 1.0366387235540459e-18 1.060426240039044e-18 1.079059554292464e-18 1.0966370341440779e-18 1.111915390525902e-18 1.124921860440714e-18 1.135872737734104e-18 1.144949068365714e-18 1.15230946782231e-18 1.1580933254710499e-18 1.1624208045594839e-18 1.16539925092209e-18 1.1671247951569079e-18 1.16768235262554e-18 1.167416391304296e-18 1.1665448072153999e-18 1.1649490392879359e-18 1.1624720742117719e-18 1.15892645732073e-18 1.154062249059906e-18 1.14756702498567e-18 1.139024219173182e-18 1.127882682860346e-18 1.113387790852548e-18 1.094490117454518e-18 1.069680412277028e-18 1.03671242367921e-18 9.92104621835382e-19 9.30132429632262e-19 8.40690919039212e-19 7.040396717487179e-19 4.75303322419074e-19 ] } }