{ "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" [ [ 0.9701738 0.435353 0.8614305 ] [ 0.785215 2.880742 2.663197 ] [ 2.41347 1.4145 0.9828772 ] [ 2.657499 1.219941 2.828683 ] [ 1.63309 2.566255 0.271655 ] [ 2.657105 2.943765 2.654332 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.701738e-11 4.35353e-11 8.614305e-11 ] [ 7.85215e-11 2.880742e-10 2.663197e-10 ] [ 2.41347e-10 1.4145e-10 9.828772e-11 ] [ 2.657499e-10 1.219941e-10 2.828683e-10 ] [ 1.63309e-10 2.566255e-10 2.71655e-11 ] [ 2.657105e-10 2.943765e-10 2.654332e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.5121726 -9.5837093 1.4322904 ] [ -11.3632965 -2.3421448 -1.9143752 ] [ 33.0796971 -18.3491472 1.1600717 ] [ 0.0816203 -19.7788749 13.8720842 ] [ -17.9056762 28.6672351 -13.8741725 ] [ 11.6198278 21.3866411 -0.6758985 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.485324027753435e-08 -1.535479498100353e-08 2.294782193076281e-09 ] [ -1.820600798751847e-08 -3.752529641088291e-09 -3.067167188879324e-09 ] [ 5.299951731676555e-08 -2.939857465545779e-08 1.858639756191711e-09 ] [ 1.307701364426823e-10 -3.168925095050794e-08 2.222552898700907e-08 ] [ -2.868805578725498e-08 4.592997386019715e-08 -2.222887481244629e-08 ] [ 1.86170164388819e-08 3.426517636786039e-08 -1.082908774733789e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.64099082 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.026980505951421e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8210231 0.6036381 1.1116228 ] [ 0.6280207 2.4941303 2.5464336 ] [ 3.0774968 1.3260518 0.874296 ] [ 2.3186971 0.908756 3.0923968 ] [ 1.3868188 2.9114299 0.3283301 ] [ 2.8844962 3.2165498 2.3090955 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.210231000000001e-11 6.036381e-11 1.1116228e-10 ] [ 6.280207e-11 2.4941303e-10 2.5464336e-10 ] [ 3.0774968e-10 1.3260518e-10 8.74296e-11 ] [ 2.3186971e-10 9.087560000000001e-11 3.0923968e-10 ] [ 1.3868188e-10 2.9114299e-10 3.283301e-11 ] [ 2.8844962e-10 3.2165498e-10 2.3090955e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.87e-05 -1.02e-05 1.59e-05 ] [ 1.33e-05 2.18e-05 -3.03e-05 ] [ 1.15e-05 3.8e-06 -1.73e-05 ] [ 1.99e-05 1.3e-06 -4e-07 ] [ -8.3e-06 -1.5e-06 -5.5e-06 ] [ -1.78e-05 -1.53e-05 3.77e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.996070280896e-14 -1.634220153216e-14 2.547460827072e-14 ] [ 2.130894905664e-14 3.492745033344e-14 -4.854595161024e-14 ] [ 1.84250311392e-14 6.08827115904e-15 -2.771765553984e-14 ] [ 3.188331475392e-14 2.08282960704e-15 -6.408706483200001e-16 ] [ -1.329806595264e-14 -2.4032649312e-15 -8.8119714144e-15 ] [ -2.851874385024e-14 -2.451330229824e-14 6.040205860416e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.062777 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.855281874092396e-18 } }