{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -32.0903468 -1.6056532 -12.0297101 ] [ -15.1197942 3.4081681 18.8076242 ] [ 0.1025207 -30.3649922 -6.0772388 ] [ 19.5062077 8.3226337 31.2028232 ] [ -3.9704802 14.9918598 0.7785182 ] [ 32.6369002 -4.4182778 -36.8685302 ] [ -1.0650075 9.6662617 4.1865134 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.141440339632409e-08 -2.572540018152707e-09 -1.927372027722163e-08 ] [ -2.422458077854744e-08 5.460487249576357e-09 3.01331357860323e-08 ] [ 1.642562686880506e-10 -4.865008059361436e-08 -9.736809924378646e-09 ] [ 3.125238993740894e-08 1.33343291376222e-08 4.999243383399585e-08 ] [ -6.361410549789308e-09 2.401960727387136e-08 1.247323658907299e-09 ] [ 5.229007847582284e-08 -7.078861395359659e-09 -5.906989712969875e-08 ] [ -1.706330117476656e-09 1.548705850627446e-08 6.707533892145918e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 11.205024 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.79524274883029e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7616628 2.7028186 1.0959961 ] [ 2.1048019 2.7515502 4.0056016 ] [ 3.5998174 0.8274668 2.3860756 ] [ 5.1907397 2.9394691 3.6385118 ] [ 3.173708 5.1308467 1.0067606 ] [ 4.8476117 2.8907393 0.7289479 ] [ 3.4894256 5.1756903 3.6837653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7616628e-10 2.7028186e-10 1.0959961e-10 ] [ 2.1048019e-10 2.7515502e-10 4.005601600000001e-10 ] [ 3.5998174e-10 8.274668e-11 2.3860756e-10 ] [ 5.190739700000001e-10 2.9394691e-10 3.6385118e-10 ] [ 3.173708e-10 5.130846700000001e-10 1.0067606e-10 ] [ 4.8476117e-10 2.8907393e-10 7.289479e-11 ] [ 3.4894256e-10 5.1756903e-10 3.6837653e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.66e-05 -4.55e-05 7.2e-06 ] [ -8.93e-05 5.61e-05 3.27e-05 ] [ 8e-05 -7.65e-05 -2.85e-05 ] [ 3.72e-05 6.1e-06 1.63e-05 ] [ 3.67e-05 0.0001283 -3.7e-06 ] [ -0.0001009 -4.66e-05 -1.69e-05 ] [ -1.04e-05 -2.2e-05 -7.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.466143052928e-14 -7.28990362464e-14 1.153567166976e-14 ] [ -1.4307437223744e-13 8.988210842688002e-14 5.239117550016001e-14 ] [ 1.28174129664e-13 -1.225665114912e-13 -4.56620336928e-14 ] [ 5.960097029376001e-14 9.77327738688e-15 2.611547891904e-14 ] [ 5.879988198335999e-14 2.0555926044864e-13 -5.928053496960001e-15 ] [ -1.6165962103872e-13 -7.466143052928e-14 -2.707678489152e-14 ] [ -1.666263685632e-14 -3.52478856576e-14 -1.153567166976e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.305738 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.093120207089015e-18 } }