{ "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" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -26.5232267 7.3802349 -28.9523154 ] [ 0.2707604 -7.5898658 39.2901459 ] [ 16.4484304 -8.8427524 -12.0935446 ] [ -16.6756892 33.0754935 -25.4242727 ] [ 26.4797251 -24.0231102 27.1799869 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.249489372691834e-08 1.182443981279223e-08 -4.63867228519078e-08 ] [ 4.338059827184563e-10 -1.216030553976949e-08 6.294975318880097e-08 ] [ 2.635329063573599e-08 -1.416765115880309e-08 -1.937599442072209e-08 ] [ -2.671739937196706e-08 5.299278240712237e-08 -4.073417532078369e-08 ] [ 4.242519648043094e-08 -3.848926552134201e-08 4.354713956483027e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.34974 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.459299456335859e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5573662 0.3990684 1.4099801 ] [ -0.3772158 0.6696968 3.3836431 ] [ 1.7019798 0.0175743 -0.4301808 ] [ 1.6688403 2.6374139 1.2515459 ] [ 2.8147396 1.298731 2.5636632 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.573662000000001e-11 3.990684e-11 1.4099801e-10 ] [ -3.772158e-11 6.696968e-11 3.3836431e-10 ] [ 1.7019798e-10 1.75743e-12 -4.301808e-11 ] [ 1.6688403e-10 2.6374139e-10 1.2515459e-10 ] [ 2.8147396e-10 1.298731e-10 2.5636632e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0012122 3.94e-05 0.0061532 ] [ 0.0003736 8.36e-05 -0.0029998 ] [ 0.0008386 -0.0001229 -0.0031534 ] [ -0.0 0.0 -0.0 ] [ 0.0 -0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.94215849973376e-12 6.312575885952001e-14 9.85851318310656e-12 ] [ 5.9857318553088e-13 1.3394196549888e-13 -4.80620942707584e-12 ] [ 1.34358531420288e-12 -1.9690750669632e-13 -5.052303756030721e-12 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -8.5392495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.368138590807809e-18 } }