{ "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" [ "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 6.85593 6.396557 6.111857 5.905006 5.742447 5.608516 5.494625 5.395549 5.307874 5.229245 5.157968 5.092786 5.032738 4.977073 4.925195 4.876622 4.830957 4.787872 4.747091 4.708379 4.671538 4.636394 4.602798 4.57062 4.548714 4.525658 4.501327 4.475569 4.448207 4.419029 4.387775 4.354128 4.317691 4.277958 4.234274 4.185765 4.131232 4.068962 3.996393 3.909429 3.80091 3.6565 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.85593e-10 6.396557e-10 6.111857e-10 5.905006000000001e-10 5.742447e-10 5.608516e-10 5.494625000000001e-10 5.395549e-10 5.307874e-10 5.229245e-10 5.157968e-10 5.092786000000001e-10 5.032738e-10 4.977073e-10 4.925195e-10 4.876622e-10 4.830957e-10 4.787872e-10 4.747091e-10 4.708379000000001e-10 4.671538000000001e-10 4.6363940000000003e-10 4.6027980000000003e-10 4.57062e-10 4.5487140000000003e-10 4.525658e-10 4.501327e-10 4.4755690000000005e-10 4.4482070000000004e-10 4.4190290000000004e-10 4.3877750000000004e-10 4.354128e-10 4.317691e-10 4.277958e-10 4.234274e-10 4.185765e-10 4.131232e-10 4.068962e-10 3.996393e-10 3.909429e-10 3.8009100000000004e-10 3.6565e-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" [ 1.6554 2.70488 3.36588 3.83778 4.19948 4.4895 4.73054 4.94289 5.1329 5.30252 5.45383 5.58882 5.70818 5.81269 5.90325 5.98082 6.04637 6.10078 6.14491 6.17954 6.2054 6.22315 6.2334 6.2367 6.23513 6.2303 6.22257 6.21243 6.20003 6.18394 6.16182 6.13037 6.08487 6.01843 5.92087 5.77805 5.56985 5.26414 4.80665 4.09876 2.96344 0.947774 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.65224317807232e-19 4.3336954980695043e-19 5.392734244418305e-19 6.148801391773825e-19 6.728308675517185e-19 7.1929719390816e-19 7.579160591759233e-19 7.919382797186113e-19 8.223812376904321e-19 8.495573575324417e-19 8.737998919817665e-19 8.954276741859457e-19 9.145512543318144e-19 9.312956021957952e-19 9.4580491367376e-19 9.582329977213057e-19 9.687352654706496e-19 9.774527084644226e-19 9.84523113892013e-19 9.900714515298433e-19 9.94214680271232e-19 9.970585437731522e-19 9.98700774809472e-19 9.99229493094336e-19 9.989779513648705e-19 9.982041000570241e-19 9.969656175291458e-19 9.953410104356545e-19 9.933543114258624e-19 9.907764092429953e-19 9.872323945577857e-19 9.821935490853697e-19 9.749036454607297e-19 9.642587839921345e-19 9.486279488796096e-19 9.25745662381344e-19 8.92388345136288e-19 8.434082036618113e-19 7.701102254368321e-19 6.566937446270209e-19 4.747954285143552e-19 1.5185013446020994e-19 ] } }