{ "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 9.22508 8.606965 8.223882 7.945552 7.726818 7.546606 7.393358 7.260045 7.142072 7.036272 6.940365 6.852658 6.771859 6.696958 6.627153 6.561795 6.50035 6.442376 6.387502 6.335414 6.285842 6.238553 6.193348 6.15005 6.120574 6.089551 6.056811 6.022152 5.985335 5.946073 5.90402 5.858745 5.809716 5.756253 5.697474 5.632202 5.558823 5.475036 5.377389 5.260374 5.114353 4.92004 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.22508e-10 8.606965000000001e-10 8.223882e-10 7.945552e-10 7.726818e-10 7.546606e-10 7.393358000000001e-10 7.260045e-10 7.142072e-10 7.036272e-10 6.940365e-10 6.852658000000001e-10 6.771859000000001e-10 6.696958000000001e-10 6.627153e-10 6.561795e-10 6.50035e-10 6.442376000000001e-10 6.387502e-10 6.335414e-10 6.285842e-10 6.238553e-10 6.193348000000001e-10 6.150050000000001e-10 6.120574000000001e-10 6.089551e-10 6.056811e-10 6.022152e-10 5.985335e-10 5.946073e-10 5.904020000000001e-10 5.858745000000001e-10 5.809716e-10 5.756253000000001e-10 5.697474e-10 5.632202e-10 5.558823000000001e-10 5.475036e-10 5.377389e-10 5.260374e-10 5.114353000000001e-10 4.92004e-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" [ 2.70266 3.35411 3.7319 3.99237 4.15616 4.2595 4.3292 4.38098 4.42576 4.4688 4.50941 4.54588 4.57704 4.60251 4.6225 4.63771 4.64897 4.6571 4.66284 4.66681 4.66946 4.67113 4.67206 4.67235 4.67221 4.67174 4.67086 4.66951 4.66765 4.66526 4.66228 4.65836 4.65237 4.64168 4.61975 4.57017 4.46509 4.25902 3.85979 3.07527 1.75167 -0.723701 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.330138665971328e-19 5.373876625591488e-19 5.979162931163521e-19 6.396481875583297e-19 6.658902384304129e-19 6.8244713162976e-19 6.936143026767361e-19 7.019103732192384e-19 7.090849201271809e-19 7.15980688303104e-19 7.224871275601728e-19 7.283302656962305e-19 7.333226480466433e-19 7.374033918998208e-19 7.406061429648e-19 7.430430536050369e-19 7.448471044800577e-19 7.46149674072768e-19 7.470693234531073e-19 7.477053875715649e-19 7.481299643760769e-19 7.483975278717504e-19 7.485465302974849e-19 7.48592993419488e-19 7.485705629467968e-19 7.484952606456192e-19 7.483542691029888e-19 7.481379752591808e-19 7.478399704077121e-19 7.474570501953408e-19 7.469796015623425e-19 7.463515483269889e-19 7.453918445311297e-19 7.436791177234945e-19 7.4016554439408e-19 7.322219527081537e-19 7.153862807767872e-19 6.823702271519616e-19 6.184065299197632e-19 4.927125696647617e-19 2.806484721356736e-19 -1.159496822649581e-19 ] } }