{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.6536163 -16.7591809 -9.5899766 ] [ -14.5496686 6.4216851 -7.6395255 ] [ -14.9474119 3.4420835 11.9120532 ] [ 7.9054367 9.6569825 -15.5010211 ] [ 1.7426695 -12.1118882 13.973537 ] [ 16.7925149 -5.723957 0.0940406 ] [ 7.7100757 15.0742749 6.7508923 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.4559152380338e-09 -2.68511678217379e-08 -1.536483630253907e-08 ] [ -2.331113887130787e-08 1.028867373335971e-08 -1.223986915010543e-08 ] [ -2.394839388764771e-08 5.514825710541437e-09 1.908521314276583e-08 ] [ 1.26659058579543e-08 1.547219158897474e-08 -2.48353736049475e-08 ] [ 2.792064330681226e-09 -1.940538410778339e-08 2.238807429128377e-08 ] [ 2.690457477721565e-08 -9.170790083864506e-09 1.506696507260045e-10 ] [ 1.235290303113819e-08 2.415165082029226e-08 1.081612181259874e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 143.61591 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.300980533769169e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.5728211 -3.8955035 -0.270562 ] [ -3.4006244 4.8860358 -0.3162762 ] [ -3.3756993 3.8299278 9.6277678 ] [ 6.118877 5.2185325 -3.3607031 ] [ 3.5786814 -3.3539678 9.7957881 ] [ 10.7362912 -0.4945809 3.4245617 ] [ 5.549001 7.7142431 6.6771987 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5728211e-10 -3.8955035e-10 -2.705620000000001e-11 ] [ -3.4006244e-10 4.886035800000001e-10 -3.162762e-11 ] [ -3.3756993e-10 3.8299278e-10 9.627767800000002e-10 ] [ 6.118877e-10 5.2185325e-10 -3.3607031e-10 ] [ 3.5786814e-10 -3.3539678e-10 9.7957881e-10 ] [ 1.07362912e-09 -4.945809e-11 3.4245617e-10 ] [ 5.549000999999999e-10 7.714243100000001e-10 6.6771987e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ -0.0 0.0 -0.0 ] [ -0.0 0.0 0.0 ] [ 0.0 0.0 -0.0 ] [ -0.0 -0.0 0.0 ] [ 0.0 -0.0 0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 0.0 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 0.0 } }