{ "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" [ [ 0.148581 1.499098 2.912634 ] [ 0.4436014 1.560152 0.6683764 ] [ 2.110053 0.4783189 0.3653162 ] [ 2.063967 1.021193 2.434749 ] [ 2.249538 2.67297 1.348927 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.48581e-11 1.499098e-10 2.912634e-10 ] [ 4.436014e-11 1.560152e-10 6.683764e-11 ] [ 2.110053e-10 4.783189e-11 3.653162e-11 ] [ 2.063967e-10 1.021193e-10 2.434749e-10 ] [ 2.249538e-10 2.67297e-10 1.348927e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9783596 2.6028816 1.3497158 ] [ -6.9454684 3.7954241 -0.9287741 ] [ 6.0000273 -3.6230412 -3.6975706 ] [ 6.4353623 -8.5828443 7.1635898 ] [ -0.5115616 5.8075798 -3.886961 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.976211426769586e-09 4.170276080588533e-09 2.162483117300617e-09 ] [ -1.112786718266536e-08 6.080939809140479e-09 -1.488060161284379e-09 ] [ 9.613103543422108e-09 -5.804751954659321e-09 -5.92416121788536e-09 ] [ 1.03105871083845e-08 -1.375123259072008e-08 1.147733619312073e-08 ] [ -8.196120423716542e-10 9.304768655650392e-09 -6.227598091469273e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.31544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.614021674142896e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2631746 1.8882908 2.8566734 ] [ 0.2104162 1.4755842 0.5735097 ] [ 2.3394716 0.602744 0.271503 ] [ 2.2048212 0.6458136 2.5879563 ] [ 1.9978568 2.6192993 1.4403602 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.631746e-11 1.8882908e-10 2.8566734e-10 ] [ 2.104162e-11 1.4755842e-10 5.735097000000001e-11 ] [ 2.3394716e-10 6.02744e-11 2.71503e-11 ] [ 2.2048212e-10 6.458136e-11 2.5879563e-10 ] [ 1.9978568e-10 2.6192993e-10 1.4403602e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.84e-05 7e-06 -1.63e-05 ] [ 1.9e-06 -3e-06 3.51e-05 ] [ 3.18e-05 -1.22e-05 -2.04e-05 ] [ -4.01e-05 1.43e-05 -1.53e-05 ] [ -2.2e-05 -6.1e-06 1.7e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.550181640559999e-14 1.1215236438e-14 -2.61154791342e-14 ] [ 3.0441356046e-15 -4.806529901999999e-15 5.62363998534e-14 ] [ 5.09492169612e-14 -1.95465549348e-14 -3.26844033336e-14 ] [ -6.42472830234e-14 2.29111258662e-14 -2.45133025002e-14 ] [ -3.5247885948e-14 -9.773277467399999e-15 2.723700277799999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.467452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.279247335191657e-18 } }