{ "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" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" ] } "a" { "source-value" [ 7.74582 7.226821 6.905167 6.671468 6.487808 6.336494 6.20782 6.095884 5.996829 5.907994 5.827465 5.753823 5.68598 5.62309 5.564478 5.5096 5.458008 5.409331 5.363256 5.31952 5.277897 5.238192 5.200235 5.16388 5.127127 5.089252 5.050186 5.00985 4.96816 4.925021 4.88033 4.833969 4.785811 4.735709 4.683499 4.628998 4.571994 4.512247 4.449479 4.383368 4.313538 4.239545 4.160862 4.076854 3.986746 3.889584 3.784169 3.668966 3.541972 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.74582e-10 7.226821000000001e-10 6.905167e-10 6.671468e-10 6.487808000000001e-10 6.336494e-10 6.20782e-10 6.095884e-10 5.996829e-10 5.907994000000001e-10 5.827465e-10 5.753822999999999e-10 5.68598e-10 5.623090000000001e-10 5.564478e-10 5.5096e-10 5.458008000000001e-10 5.409331e-10 5.363256e-10 5.31952e-10 5.277897e-10 5.238192e-10 5.200235e-10 5.16388e-10 5.127127e-10 5.089252e-10 5.050186e-10 5.00985e-10 4.96816e-10 4.925021000000001e-10 4.88033e-10 4.833968999999999e-10 4.785811e-10 4.735709e-10 4.683499e-10 4.628998e-10 4.5719940000000005e-10 4.5122470000000007e-10 4.4494790000000005e-10 4.383368e-10 4.3135380000000004e-10 4.239545e-10 4.160862e-10 4.076854e-10 3.9867460000000005e-10 3.8895840000000003e-10 3.784169e-10 3.6689660000000005e-10 3.541972e-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" [ 8.18179 68.0229 256.156 676.811 1466.96 2803.78 4898.73 7940.37 11909.9 16133.6 18618.7 18251.3 17217.2 17377.8 17406.3 17407.4 17407.9 17408.2 17408.4 17408.5 17408.6 17408.6 17408.7 17408.7 17408.7 17408.6 17408.6 17408.6 17408.6 17408.5 17408.4 17408.4 17408.3 17408.2 17408.1 17408 17407.8 17407.6 17407.4 17407.2 17406.9 17406.6 17406.2 17405.7 17405.1 17404.4 17403.5 17402.3 17400.9 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3108672762294858e-18 1.089847009569186e-17 4.10407157858904e-17 1.084370769834174e-16 2.35032903501264e-16 4.49215080287652e-16 7.848630742274819e-16 1.272187527931458e-15 1.90817634932766e-15 2.58488769423024e-15 2.98304460954558e-15 2.92418064001242e-15 2.75849955429048e-15 2.7842305110325197e-15 2.7887967144394197e-15 2.78897295386916e-15 2.7890530627008602e-15 2.78910112799988e-15 2.78913317153256e-15 2.7891491932988997e-15 2.7891652150652396e-15 2.7891652150652396e-15 2.78918123683158e-15 2.78918123683158e-15 2.78918123683158e-15 2.7891652150652396e-15 2.7891652150652396e-15 2.7891652150652396e-15 2.7891652150652396e-15 2.7891491932988997e-15 2.78913317153256e-15 2.78913317153256e-15 2.78911714976622e-15 2.78910112799988e-15 2.7890851062335396e-15 2.7890690844671997e-15 2.7890370409345195e-15 2.7890049974018397e-15 2.78897295386916e-15 2.78894091033648e-15 2.78889284503746e-15 2.7888447797384395e-15 2.78878069267308e-15 2.78870058384138e-15 2.7886044532433397e-15 2.78849230087896e-15 2.7883481049819e-15 2.78815584378582e-15 2.78793153905706e-15 ] } }