{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2965146 -0.2166821 -2.9434536 ] [ -0.0149999 -0.2028203 3.0150164 ] [ -1.7332088 1.0382879 -1.7029989 ] [ -0.3254534 -0.815283 -1.2751418 ] [ 0.7946253 0.2859713 -0.7983977 ] [ 0.117714 0.3070477 1.4978289 ] [ 1.4578373 -0.3965214 2.2071468 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.750687598458637e-10 -3.471629947658477e-10 -4.715932542329595e-09 ] [ -2.403248909433792e-11 -3.249539428836423e-10 4.830588787408581e-09 ] [ -2.776906618324824e-09 1.663520599039529e-09 -2.728505022828118e-09 ] [ -5.214338286398707e-10 -1.306227361935686e-09 -2.04300238016483e-09 ] [ 1.273130077956186e-09 4.58176531079783e-10 -1.279174129040492e-09 ] [ 1.885986187408512e-10 4.919446464104122e-10 2.399786445538581e-09 ] [ 2.335712838990196e-09 -6.352973167268851e-10 3.536239001633533e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.665046 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.150687694815656e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6356311 1.8897574 1.9737203 ] [ 1.9314097 1.5435351 4.2813297 ] [ 2.9444812 3.8536703 2.1479535 ] [ 3.5827435 0.6278559 1.5912049 ] [ 4.9012998 2.5929264 1.864857 ] [ 4.252791 1.3133103 3.8129266 ] [ 3.1377288 3.5447609 4.46188 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6356311e-10 1.8897574e-10 1.9737203e-10 ] [ 1.9314097e-10 1.5435351e-10 4.2813297e-10 ] [ 2.9444812e-10 3.8536703e-10 2.1479535e-10 ] [ 3.5827435e-10 6.278559000000001e-11 1.5912049e-10 ] [ 4.901299800000001e-10 2.5929264e-10 1.864857e-10 ] [ 4.252791e-10 1.3133103e-10 3.8129266e-10 ] [ 3.1377288e-10 3.5447609e-10 4.46188e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.67e-05 2.43e-05 -1.5e-06 ] [ -1.8e-06 3.6e-06 4.52e-05 ] [ -7.4e-06 -4.13e-05 -1.4e-05 ] [ 4.2e-06 2.75e-05 -2.81e-05 ] [ -1.45e-05 -7.9e-06 1.09e-05 ] [ -1.39e-05 7.1e-06 3.5e-06 ] [ -3.1e-06 -1.32e-05 -1.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.879988198335999e-14 3.893289188544e-14 -2.4032649312e-15 ] [ -2.88391791744e-15 5.76783583488e-15 7.241838326016e-14 ] [ -1.185610699392e-14 -6.616989443904001e-14 -2.24304726912e-14 ] [ 6.72914180736e-15 4.4059857072e-14 -4.502116304448e-14 ] [ -2.32315610016e-14 -1.265719530432e-14 1.746372516672e-14 ] [ -2.227025502912e-14 1.137545400768e-14 5.6076181728e-15 ] [ -4.96674752448e-15 -2.114873139456e-14 -2.56348259328e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.535972 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.610660746540342e-18 } }