{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1515051 0.6129927 0.4125648 ] [ 0.5354239 0.8367141 2.920626 ] [ 0.0380374 2.448484 2.393252 ] [ 2.476891 0.0370714 1.494005 ] [ 2.980221 0.9767319 2.515602 ] [ 2.390623 2.921281 2.114549 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.515051e-11 6.129927e-11 4.125648000000001e-11 ] [ 5.354239e-11 8.367141000000001e-11 2.920626e-10 ] [ 3.80374e-12 2.448484e-10 2.393252e-10 ] [ 2.476891e-10 3.707139999999999e-12 1.494005e-10 ] [ 2.980221e-10 9.767319e-11 2.515602e-10 ] [ 2.390623e-10 2.921281e-10 2.114549e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.519988 -1.4679663 -0.778512 ] [ 13.8598342 -44.5091345 16.3080654 ] [ -12.6708579 47.562995 -12.6515866 ] [ -45.4244288 -93.2316411 -107.1045739 ] [ 47.9031851 85.2130111 108.4002253 ] [ -3.1477446 6.4327358 -4.1736181 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.331126166965504e-10 -2.351941285982279e-09 -1.24731372541225e-09 ] [ 2.220590232340427e-08 -7.131149470794271e-08 2.61284011143574e-08 ] [ -2.030095229285899e-08 7.62043186042273e-08 -2.027007626654656e-08 ] [ -7.27779578365542e-08 -1.493735556892364e-07 -1.716004442833259e-07 ] [ 7.674936322907491e-08 1.365262941723909e-07 1.736763066651127e-07 ] [ -5.043242806369448e-09 1.030637890654318e-08 -6.686873343967716e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 35.051116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.615807858814882e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1412888 -0.3666569 0.7346447 ] [ 0.3044061 0.7987927 2.9311327 ] [ 0.0191859 3.2366343 2.5009716 ] [ 2.755014 -0.1971396 0.5695152 ] [ 2.7199049 0.9554731 2.7785228 ] [ 2.6329017 3.4061715 2.3358118 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.412888e-11 -3.666569e-11 7.346447e-11 ] [ 3.044061e-11 7.987927e-11 2.9311327e-10 ] [ 1.91859e-12 3.2366343e-10 2.5009716e-10 ] [ 2.755014e-10 -1.971396e-11 5.695152e-11 ] [ 2.7199049e-10 9.554731e-11 2.778522800000001e-10 ] [ 2.6329017e-10 3.4061715e-10 2.3358118e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.13e-05 -8.7e-06 -2.94e-05 ] [ 2.46e-05 3.23e-05 5.52e-05 ] [ -3.69e-05 -7.6e-06 -1.16e-05 ] [ 2.32e-05 9.9e-06 -5.8e-06 ] [ -2.76e-05 1.45e-05 -1.26e-05 ] [ 2.8e-05 -4.05e-05 4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.810459581504e-14 -1.393893660096e-14 -4.710399265152e-14 ] [ 3.941354487168e-14 5.175030485184e-14 8.844014946816001e-14 ] [ -5.912031730752001e-14 -1.217654231808e-14 -1.858524880128e-14 ] [ 3.717049760256e-14 1.586154854592e-14 -9.292624400640001e-15 ] [ -4.422007473408001e-14 2.32315610016e-14 -2.018742542208e-14 ] [ 4.48609453824e-14 -6.488815314240001e-14 6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.238735 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.761949818916669e-18 } }