{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.8462417 -2.8483888 -0.714665 ] [ -1.9354362 1.9263653 1.7765618 ] [ -1.1136781 -0.0696264 0.1826549 ] [ 1.9303407 -0.3348005 -0.7046618 ] [ 2.1885845 -2.19114 1.026541 ] [ 0.5856669 -0.3051662 -3.7085263 ] [ 1.1907639 3.8227567 2.1420954 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.560181946456438e-09 -4.563621979907299e-09 -1.14501956413761e-09 ] [ -3.10091065623775e-09 3.0863774722084e-09 2.846365804816981e-09 ] [ -1.784309029617515e-09 -1.115537911895376e-10 2.926454128656066e-10 ] [ 3.092746765199203e-09 -5.36409538151517e-10 -1.128992670832381e-09 ] [ 3.506498947434573e-09 -3.51059330982276e-09 1.644700004042994e-09 ] [ 9.383418224872146e-10 -4.889301551265708e-10 -5.941714184434474e-09 ] [ 1.907814097190713e-09 6.124731462206947e-09 3.432015197678883e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.66458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.310830722742372e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8738876 1.3530983 2.7034901 ] [ 2.1809898 3.191073 4.2637827 ] [ 1.4745297 3.5415137 1.9648478 ] [ 4.0826958 1.5112758 2.0020032 ] [ 4.443844 2.3112274 4.1527209 ] [ 3.6807549 3.7138709 1.2585852 ] [ 4.0445032 4.4996459 3.414085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8738876e-10 1.3530983e-10 2.7034901e-10 ] [ 2.1809898e-10 3.191073e-10 4.2637827e-10 ] [ 1.4745297e-10 3.5415137e-10 1.9648478e-10 ] [ 4.0826958e-10 1.5112758e-10 2.0020032e-10 ] [ 4.443844e-10 2.3112274e-10 4.152720900000001e-10 ] [ 3.6807549e-10 3.7138709e-10 1.2585852e-10 ] [ 4.044503200000001e-10 4.4996459e-10 3.414085e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.1e-06 6.2e-06 -2.5e-06 ] [ -1.1e-05 2.33e-05 2.42e-05 ] [ 2.07e-05 -9e-06 1.06e-05 ] [ 9.6e-06 1.6e-06 -1.84e-05 ] [ 6.5e-06 -4.4e-06 1.53e-05 ] [ 1.8e-06 4.1e-06 -3.36e-05 ] [ -2.36e-05 -2.18e-05 4.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.568924199399999e-15 9.9334951308e-15 -4.005441585e-15 ] [ -1.7623942974e-14 3.733071557219999e-14 3.877267454279999e-14 ] [ 3.316505632379999e-14 -1.4419589706e-14 1.69830723204e-14 ] [ 1.53808956864e-14 2.5634826144e-15 -2.94800500656e-14 ] [ 1.0414148121e-14 -7.0495771896e-15 2.45133025002e-14 ] [ 2.8839179412e-15 6.568924199399999e-15 -5.383313490239999e-14 ] [ -3.78113685624e-14 -3.492745062119999e-14 7.209794853e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }