{ "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" [ [ 2.026325 2.332401 2.957561 ] [ 3.78119 1.739305 1.09586 ] [ 4.095572 1.356929 3.585425 ] [ 3.432411 4.018052 0.5968462 ] [ 4.864307 3.437474 2.341714 ] [ 3.124173 4.42761 2.898506 ] [ 3.279186 3.336979 4.610213 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026325e-10 2.332401e-10 2.957561e-10 ] [ 3.78119e-10 1.739305e-10 1.09586e-10 ] [ 4.095572e-10 1.356929e-10 3.585425e-10 ] [ 3.432411e-10 4.018052e-10 5.968462e-11 ] [ 4.864307000000001e-10 3.437474e-10 2.341714e-10 ] [ 3.124173e-10 4.42761e-10 2.898506e-10 ] [ 3.279186e-10 3.336979e-10 4.610213e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.0672259 -9.775826 -5.7529792 ] [ -1.5964628 -10.4445399 -5.135031 ] [ 7.6529136 -8.2844807 2.6404566 ] [ -4.914513 5.6779149 -15.9881594 ] [ 26.0465541 -5.2410167 2.3757857 ] [ -14.1369272 34.9201457 -6.807558 ] [ 3.0156611 -6.8521974 28.6674852 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.574253391017962e-08 -1.566259999524968e-08 -9.217288850128012e-09 ] [ -2.557815395210215e-09 -1.673399778066069e-08 -8.227226683065653e-09 ] [ 1.226131935194082e-08 -1.327320140236396e-08 4.230477867611084e-09 ] [ -7.87391789608924e-09 9.097022582620447e-09 -2.561585541134746e-08 ] [ 4.17311803752369e-08 -8.397034495143787e-09 3.806428335931333e-09 ] [ -2.264985443639904e-08 5.594824149641556e-08 -1.090691036219977e-08 ] [ 4.831621750482737e-09 -1.097843056583555e-08 4.593037494298081e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.5340082 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.04686352644044e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7915283 2.2683017 2.891826 ] [ 3.5245471 1.5990146 1.0633787 ] [ 4.3728891 1.4254006 3.6210539 ] [ 3.5148696 4.0907574 0.3261572 ] [ 5.297031 3.4355842 2.2427731 ] [ 2.9984599 4.6599629 2.8710234 ] [ 3.1038391 3.1697284 5.0699129 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7915283e-10 2.2683017e-10 2.891826e-10 ] [ 3.5245471e-10 1.5990146e-10 1.0633787e-10 ] [ 4.3728891e-10 1.4254006e-10 3.6210539e-10 ] [ 3.5148696e-10 4.0907574e-10 3.261572e-11 ] [ 5.297031e-10 3.4355842e-10 2.2427731e-10 ] [ 2.9984599e-10 4.659962900000001e-10 2.8710234e-10 ] [ 3.1038391e-10 3.1697284e-10 5.069912900000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.38e-05 1.18e-05 -2.02e-05 ] [ -7.3e-06 -3.66e-05 -6.64e-05 ] [ 6.3e-06 -2.11e-05 3.03e-05 ] [ -3.18e-05 -2.61e-05 2.77e-05 ] [ 6.8e-06 4.11e-05 3.8e-05 ] [ 2.24e-05 2.68e-05 -3.6e-06 ] [ 1.73e-05 4e-06 -5.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.21100375492e-14 1.89056842812e-14 -3.236396800679999e-14 ] [ -1.16958894282e-14 -5.86396648044e-14 -1.063845284976e-13 ] [ 1.00937127942e-14 -3.38059269774e-14 4.854595201019999e-14 ] [ -5.09492169612e-14 -4.18168101474e-14 4.438029276179999e-14 ] [ 1.08948011112e-14 6.58494596574e-14 6.088271209199999e-14 ] [ 3.588875660159999e-14 4.293833379119999e-14 -5.767835882399999e-15 ] [ 2.77176557682e-14 6.408706535999999e-15 -9.1324068138e-15 ] ] } "relaxed-potential-energy" { "source-value" -23.71534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.799616361536556e-18 } }