{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.26541 0.4689135 1.770405 ] [ 0.1075881 2.160004 0.6716672 ] [ 0.5668509 2.899878 2.242644 ] [ 2.824031 1.222886 2.646945 ] [ 2.932592 2.399832 0.52394 ] [ 1.820297 2.092873 2.325497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26541e-10 4.689135e-11 1.770405e-10 ] [ 1.075881e-11 2.160004e-10 6.716672e-11 ] [ 5.668509000000001e-11 2.899878e-10 2.242644e-10 ] [ 2.824031e-10 1.222886e-10 2.646945e-10 ] [ 2.932592e-10 2.399832e-10 5.2394e-11 ] [ 1.820297e-10 2.092873e-10 2.325497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -189.5108263 -36.6537528 -188.5931581 ] [ -21.2178031 -209.1318902 -84.272707 ] [ -280.782621 265.7104541 101.9617906 ] [ 1472.325099 -1255.5421017 528.8782216 ] [ 89.4253949 36.9057462 -158.5107168 ] [ -1070.2392436 1198.7115443 -199.4634303 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.036298152863498e-07 -5.872578580074254e-08 -3.021595487506582e-07 ] [ -3.399466807155777e-08 -3.350662251421526e-07 -1.350197609269285e-07 ] [ -4.498633508931471e-07 4.257150774611715e-07 1.633607971142252e-07 ] [ 2.358924851834845e-06 -2.011600201773836e-06 8.473563218978015e-07 ] [ 1.432752770145876e-07 5.912952373481844e-08 -2.539621646032098e-07 ] [ -1.714712294758596e-06 1.920547611360524e-06 -3.195756447312303e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 1002.0779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.60550578360036e-16 } "relaxed-configuration-positions" { "source-value" [ [ 0.8767636 -0.447562 1.5147693 ] [ 0.2127792 1.8601488 0.0875202 ] [ -0.1819846 3.3993161 2.3850391 ] [ 3.2463682 0.6011786 2.5932569 ] [ 2.8623181 2.5199434 0.394254 ] [ 2.5005245 3.3113616 3.2062588 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.767636000000001e-11 -4.475620000000001e-11 1.5147693e-10 ] [ 2.127792e-11 1.8601488e-10 8.752020000000002e-12 ] [ -1.819846e-11 3.3993161e-10 2.385039100000001e-10 ] [ 3.2463682e-10 6.011786e-11 2.5932569e-10 ] [ 2.8623181e-10 2.5199434e-10 3.94254e-11 ] [ 2.5005245e-10 3.3113616e-10 3.2062588e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.65e-05 1.61e-05 2.4e-05 ] [ -7.8e-06 1.31e-05 4.06e-05 ] [ -2.29e-05 -2.34e-05 -6.4e-05 ] [ 1.62e-05 4.86e-05 1.11e-05 ] [ 1.65e-05 2.52e-05 -4.46e-05 ] [ 2.46e-05 -7.96e-05 3.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.24576804512e-14 2.579504359488e-14 3.84522388992e-14 ] [ -1.249697764224e-14 2.098851373248e-14 6.504837080448e-14 ] [ -3.668984461632e-14 -3.749093292672001e-14 -1.025393037312e-13 ] [ 2.595526125696e-14 7.786578377088e-14 1.778416049088e-14 ] [ 2.64359142432e-14 4.037485084416e-14 -7.145707728768e-14 ] [ 3.941354487168e-14 -1.2753325901568e-13 5.271161082432e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.691321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.514026765566808e-18 } }