{ "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" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.993509 -2.8267724 -16.5358806 ] [ -3.9608193 -8.0040995 10.1064427 ] [ 9.2417129 -8.9390737 -0.5775217 ] [ 2.5814893 8.882943 11.3079034 ] [ 7.6536666 0.391679 -1.7457621 ] [ -1.1580172 6.4791564 -4.5688703 ] [ -0.3645231 4.0161672 2.0136886 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.242007296275439e-08 -4.528988651602706e-09 -2.649340130166028e-08 ] [ -6.345932081673422e-09 -1.282398108945697e-08 1.619230621339483e-08 ] [ 1.480685634452577e-08 -1.432197489374815e-08 -9.252917657446714e-10 ] [ 4.136001803305357e-09 1.423204359849901e-08 1.811725845774483e-08 ] [ 1.226252568991783e-08 6.275389366583232e-10 -2.797019222098712e-09 ] [ -1.855348084324278e-09 1.038075290658669e-08 -7.320137178127483e-09 ] [ -5.840303885615404e-10 6.434609193063797e-09 3.226284796491483e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.778212 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.085989279722601e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.488243 2.6180024 1.2983047 ] [ 1.530704 0.8722987 3.2900841 ] [ 5.4100739 0.6024421 3.6501043 ] [ 3.5468607 2.0413966 4.1333473 ] [ 5.4680364 3.377664 0.9871817 ] [ 3.4991982 3.5979934 2.3288912 ] [ 3.1682158 5.8152603 3.1291377 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.488243e-10 2.6180024e-10 1.2983047e-10 ] [ 1.530704e-10 8.722987000000001e-11 3.2900841e-10 ] [ 5.4100739e-10 6.024421e-11 3.6501043e-10 ] [ 3.5468607e-10 2.0413966e-10 4.1333473e-10 ] [ 5.4680364e-10 3.377664000000001e-10 9.871817000000001e-11 ] [ 3.4991982e-10 3.5979934e-10 2.3288912e-10 ] [ 3.1682158e-10 5.815260300000001e-10 3.1291377e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.78e-05 -2.44e-05 2.75e-05 ] [ -5.49e-05 1.4e-06 -2.41e-05 ] [ 2.56e-05 -1.8e-06 -9.3e-06 ] [ 5.5e-06 8.6e-06 2.67e-05 ] [ -2.98e-05 -5.9e-06 1.69e-05 ] [ 4.47e-05 2.86e-05 -4.7e-05 ] [ -8.9e-06 -6.5e-06 9.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.851874385024e-14 -3.909310954752e-14 4.4059857072e-14 ] [ -8.795949648192e-14 2.24304726912e-15 -3.861245656128e-14 ] [ 4.101572149248001e-14 -2.88391791744e-15 -1.490024257344e-14 ] [ 8.8119714144e-15 1.377871893888e-14 4.277811577536e-14 ] [ -4.774486329984001e-14 -9.45284206272e-15 2.707678489152e-14 ] [ 7.161729494976001e-14 4.582225135488e-14 -7.530230117759999e-14 ] [ -1.425937192512e-14 -1.04141480352e-14 1.506046023552e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.646698 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.307965683231812e-18 } }