{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.715482 1.558119 0.3191032 ] [ 2.111919 2.384646 2.793656 ] [ 0.6473775 3.949576 0.9928713 ] [ 3.842985 1.188798 1.171985 ] [ 3.145034 3.056438 0.3971002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.715482e-10 1.558119e-10 3.191032e-11 ] [ 2.111919e-10 2.384646e-10 2.793656e-10 ] [ 6.473775000000001e-11 3.949576e-10 9.928713000000001e-11 ] [ 3.842985e-10 1.188798e-10 1.171985e-10 ] [ 3.145034e-10 3.056438e-10 3.971002e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1095978 -2.3905679 -2.6726241 ] [ -1.1647022 0.3737218 5.0390118 ] [ -1.4233424 1.2918971 -0.1203598 ] [ 3.4636889 -3.0133724 0.532767 ] [ 2.2339535 3.7383213 -2.7787949 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.982124895251114e-09 -3.830111999814953e-09 -4.282015849206641e-09 ] [ -1.866058635034326e-09 5.987683306432934e-10 8.073386897895325e-09 ] [ -2.280445916673362e-09 2.06984733009932e-09 -1.928376576441638e-10 ] [ 5.549441377304469e-09 -4.827954809043987e-09 8.535868317337536e-10 ] [ 3.579188069654333e-09 5.989450987898663e-09 -4.452120222778274e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.6520835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.386216590490944e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2593676 2.489443 -0.581714 ] [ 2.1197169 2.4838328 3.1351148 ] [ 0.412578 2.9768918 1.5733826 ] [ 4.0632368 1.9007031 1.918854 ] [ 3.6078981 2.2867064 -0.3709217 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2593676e-10 2.489443e-10 -5.81714e-11 ] [ 2.1197169e-10 2.4838328e-10 3.1351148e-10 ] [ 4.12578e-11 2.976891800000001e-10 1.5733826e-10 ] [ 4.063236800000001e-10 1.9007031e-10 1.918854e-10 ] [ 3.6078981e-10 2.2867064e-10 -3.709217e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-06 -6.2e-06 5.2e-06 ] [ -4.9e-06 2e-06 3.5e-06 ] [ 9.9e-06 5e-07 -3.5e-06 ] [ -4.1e-06 -3.7e-06 -4.3e-06 ] [ -4e-06 7.3e-06 -1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.126965186560001e-15 -9.93349504896e-15 8.33131842816e-15 ] [ -7.850665441919999e-15 3.2043532416e-15 5.6076181728e-15 ] [ 1.586154854592e-14 8.010883104e-16 -5.6076181728e-15 ] [ -6.568924145279999e-15 -5.928053496960001e-15 -6.889359469440001e-15 ] [ -6.4087064832e-15 1.169588933184e-14 -1.6021766208e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.976835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.239335826977917e-18 } }