{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.26846 0.3454837 2.901552 ] [ 0.267977 2.35609 2.023372 ] [ 2.685563 0.3914351 1.602855 ] [ 2.683655 1.904541 0.876934 ] [ 1.547568 2.030572 0.3165864 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26846e-10 3.454837e-11 2.901552e-10 ] [ 2.67977e-11 2.35609e-10 2.023372e-10 ] [ 2.685563e-10 3.914351e-11 1.602855e-10 ] [ 2.683655e-10 1.904541e-10 8.769340000000001e-11 ] [ 1.547568e-10 2.030572e-10 3.165864e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -90.6063804 44.6972355 44.5256502 ] [ 239.6116298 -102.9119964 -319.2531317 ] [ 82.012684 22.0606263 -73.1453703 ] [ 1652.9041324 -225.6731379 786.5556103 ] [ -1883.9220658 261.8272725 -438.6827585 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.451674243721914e-07 7.16128657324918e-08 7.133795577635884e-08 ] [ 3.839001513373446e-07 -1.648831946319338e-07 -5.114999037269233e-07 ] [ 1.313988049138582e-07 3.534501969806561e-08 -1.171918022144187e-07 ] [ 2.648244357354987e-06 -3.615682254859544e-07 1.260201009781736e-06 ] [ -3.018375889233999e-06 4.194935346873307e-07 -7.028472596167525e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 471.77957 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.558741972250771e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.9099745 0.1256877 3.4108805 ] [ -0.4928983 2.1990742 2.1180747 ] [ 3.3911116 -0.179562 2.1112646 ] [ 3.5936298 1.8478986 0.1658752 ] [ 1.0514054 3.0350232 -0.0847957 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.099745000000001e-11 1.256877e-11 3.410880500000001e-10 ] [ -4.928983e-11 2.1990742e-10 2.1180747e-10 ] [ 3.3911116e-10 -1.79562e-11 2.1112646e-10 ] [ 3.5936298e-10 1.8478986e-10 1.658752e-11 ] [ 1.0514054e-10 3.0350232e-10 -8.47957e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3e-07 -4e-07 5e-07 ] [ -7e-07 -1e-07 -1.8e-06 ] [ 1.6e-06 2.1e-06 -6e-07 ] [ 1.3e-06 -4e-06 -1e-07 ] [ -1.8e-06 2.4e-06 1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.8065298624e-16 -6.408706483200001e-16 8.010883104e-16 ] [ -1.12152363456e-15 -1.6021766208e-16 -2.88391791744e-15 ] [ 2.56348259328e-15 3.36457090368e-15 -9.6130597248e-16 ] [ 2.08282960704e-15 -6.4087064832e-15 -1.6021766208e-16 ] [ -2.88391791744e-15 3.84522388992e-15 3.04413557952e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.190057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.953062433161938e-18 } }