{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9483619 -4.8160405 5.7439938 ] [ -0.9964622 4.7856911 -1.4095792 ] [ -7.242403 1.1977236 -5.1851185 ] [ 0.2201948 5.854869 2.4646955 ] [ 5.2007596 -5.1088136 -3.4710544 ] [ 1.7242793 -1.4367092 2.0494416 ] [ 4.0419933 -0.4767204 -0.1923788 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.723796505837468e-09 -7.716147493925942e-09 9.202892576380152e-09 ] [ -1.596508440350934e-09 7.667522394790634e-09 -2.258394839405967e-09 ] [ -1.160360876501178e-08 1.918964750100411e-09 -8.307475636777564e-09 ] [ 3.527909605817318e-10 9.380534229646674e-09 3.948877507490966e-09 ] [ 8.33253544152116e-09 -8.185221709945083e-09 -5.561242209204971e-09 ] [ 2.76259998218939e-09 -2.301861891128271e-09 3.283567417214945e-09 ] [ 6.47598716669024e-09 -7.637902795384243e-10 -3.08224815697559e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.478642 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.999298847173296e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.218726 3.3818098 3.5086341 ] [ 2.5670313 5.7640122 1.3758723 ] [ 1.3964402 3.6292396 1.0985927 ] [ 2.4158148 5.5649081 3.7921886 ] [ 3.5163232 2.4460839 1.0129746 ] [ 4.7134134 4.6291803 1.2965452 ] [ 3.8066502 3.4152992 3.3977456 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.218726e-10 3.3818098e-10 3.5086341e-10 ] [ 2.5670313e-10 5.764012200000001e-10 1.3758723e-10 ] [ 1.3964402e-10 3.6292396e-10 1.0985927e-10 ] [ 2.4158148e-10 5.5649081e-10 3.7921886e-10 ] [ 3.5163232e-10 2.4460839e-10 1.0129746e-10 ] [ 4.7134134e-10 4.6291803e-10 1.2965452e-10 ] [ 3.8066502e-10 3.4152992e-10 3.3977456e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.9e-06 4.9e-06 -7.2e-06 ] [ -8.9e-06 2.4e-06 -3.3e-06 ] [ -1.67e-05 3.8e-06 -3e-06 ] [ 1.31e-05 -2.53e-05 1.8e-06 ] [ 1.09e-05 5.5e-06 1.07e-05 ] [ 9.9e-06 -3.9e-06 -1.1e-05 ] [ -3.3e-06 1.26e-05 1.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.850665441919999e-15 7.850665441919999e-15 -1.153567166976e-14 ] [ -1.425937192512e-14 3.84522388992e-15 -5.28718284864e-15 ] [ -2.675634956736e-14 6.08827115904e-15 -4.8065298624e-15 ] [ 2.098851373248e-14 -4.053506850624e-14 2.88391791744e-15 ] [ 1.746372516672e-14 8.8119714144e-15 1.714328984256e-14 ] [ 1.586154854592e-14 -6.24848882112e-15 -1.76239428288e-14 ] [ -5.28718284864e-15 2.018742542208e-14 1.906590178752e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.735789 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.841586648724181e-18 } }