{ "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" [ "Mo" "Mo" ] } "a" { "source-value" [ 4.75004 4.431769 4.234518 4.091204 3.978576 3.885784 3.806876 3.738232 3.677488 3.623011 3.573627 3.528467 3.486863 3.448296 3.412353 3.3787 3.347061 3.31721 3.288956 3.262135 3.23661 3.212261 3.188984 3.16669 3.151512 3.135539 3.118681 3.100834 3.081877 3.061661 3.040007 3.016695 2.99145 2.963922 2.933656 2.900047 2.862264 2.819121 2.768842 2.70859 2.633403 2.53335 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.75004e-10 4.431769e-10 4.234518e-10 4.0912040000000005e-10 3.978576e-10 3.885784e-10 3.806876e-10 3.738232e-10 3.677488e-10 3.623011e-10 3.5736270000000003e-10 3.528467e-10 3.486863e-10 3.448296e-10 3.412353e-10 3.3787e-10 3.347061e-10 3.3172100000000003e-10 3.288956e-10 3.262135e-10 3.2366100000000006e-10 3.212261e-10 3.188984e-10 3.16669e-10 3.151512e-10 3.135539e-10 3.118681e-10 3.100834e-10 3.081877e-10 3.061661e-10 3.040007e-10 3.016695e-10 2.99145e-10 2.9639220000000003e-10 2.9336560000000004e-10 2.900047e-10 2.8622640000000004e-10 2.819121e-10 2.7688419999999997e-10 2.7085900000000003e-10 2.633403e-10 2.53335e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.612256 1.59514 2.43921 3.12627 3.69743 4.1811 4.59442 4.94888 5.25326 5.51491 5.74019 5.93457 6.1027 6.24844 6.37489 6.48445 6.57894 6.65968 6.72755 6.78315 6.82629 6.85591 6.87303 6.87858 6.87589 6.86697 6.85025 6.82356 6.78391 6.72708 6.64709 6.53528 6.37913 6.16023 5.85141 5.4122 4.78199 3.86915 2.53369 0.524132 -2.73126 -8.9122 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.809422491445249e-20 2.5556960149029124e-19 3.908045235221568e-19 5.008836704308416e-19 5.923935903044544e-19 6.698860669226881e-19 7.361072310135937e-19 7.928979835144705e-19 8.416650354983808e-19 8.835859867816128e-19 9.196798216949952e-19 9.508229308501056e-19 9.77760326375616e-19 1.0011104484471553e-18 1.0213699718171713e-18 1.038923418874656e-18 1.0540623857645953e-18 1.0669983598009345e-18 1.0778723325263041e-18 1.086780434537952e-18 1.0936922244800833e-18 1.0984378716308928e-18 1.1011807980057024e-18 1.1020700060302466e-18 1.1016390205192513e-18 1.1002098789734977e-18 1.09753103966352e-18 1.0932548302626048e-18 1.0869021999611328e-18 1.0777970302251265e-18 1.0649812194353474e-18 1.0470672826381824e-18 1.0220492947043905e-18 9.869776484750786e-19 9.374992300715327e-19 8.671300307093761e-19 7.661592578899393e-19 6.19906167236832e-19 4.059418882354752e-19 8.397520366131457e-20 -4.375960917326208e-19 -1.427891847989376e-18 ] } }