{ "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" [ [ 2.04098 2.133134 3.812884 ] [ 2.161605 4.797503 2.926814 ] [ 2.748178 3.149118 1.513672 ] [ 4.833213 2.247647 2.725743 ] [ 4.087134 1.710162 4.852625 ] [ 4.720686 4.556589 2.507622 ] [ 3.429181 3.830938 4.469304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04098e-10 2.133134e-10 3.812884e-10 ] [ 2.161605e-10 4.797503e-10 2.926814e-10 ] [ 2.748178e-10 3.149118e-10 1.513672e-10 ] [ 4.833213e-10 2.247647e-10 2.725743e-10 ] [ 4.087134e-10 1.710162e-10 4.852625e-10 ] [ 4.720686e-10 4.556589e-10 2.507622e-10 ] [ 3.429181e-10 3.830938e-10 4.469304000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -23.7727694 -17.5364266 4.9410434 ] [ -14.0557127 17.2323511 -3.622016 ] [ -10.9097849 -8.227264 -25.2750224 ] [ 23.3938293 -13.9053334 -13.6738093 ] [ 6.8403679 -10.9774526 7.915146 ] [ 18.5145804 11.4175851 -4.5752184 ] [ -0.0105106 21.9965403 34.2898767 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.808817534434965e-08 -2.809645271089523e-08 7.916424217838142e-09 ] [ -2.251973427662165e-08 2.760927005383716e-08 -5.803109355363533e-09 ] [ -1.747940230473687e-08 -1.318153003394949e-08 -4.049504997947631e-08 ] [ 3.748104637544603e-08 -2.227880007790938e-08 -2.190785757773762e-08 ] [ 1.095947752705079e-08 -1.758781791166017e-08 1.268146187141864e-08 ] [ 2.966362786080191e-08 1.829298791321443e-08 -7.330307955533983e-09 ] [ -1.683983759058048e-11 3.524234260714502e-08 5.493843877885466e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.393508 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.825441214649777e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2822403 1.1794651 3.6007611 ] [ 2.0445679 4.7664559 2.9251838 ] [ 2.4176514 2.7164666 1.8082988 ] [ 4.7279849 2.8646938 1.324565 ] [ 3.1781543 2.3672274 5.4427454 ] [ 5.623863 4.0524802 3.166557 ] [ 3.7465152 4.478302 4.5405527 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2822403e-10 1.1794651e-10 3.600761100000001e-10 ] [ 2.0445679e-10 4.766455900000001e-10 2.9251838e-10 ] [ 2.4176514e-10 2.7164666e-10 1.8082988e-10 ] [ 4.727984900000001e-10 2.8646938e-10 1.324565e-10 ] [ 3.1781543e-10 2.3672274e-10 5.4427454e-10 ] [ 5.623863e-10 4.0524802e-10 3.166557e-10 ] [ 3.7465152e-10 4.478302000000001e-10 4.5405527e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.7e-06 1.03e-05 -6.87e-05 ] [ 8e-07 -1.49e-05 3e-07 ] [ -3.91e-05 -1.9e-05 1.54e-05 ] [ 1.41e-05 2.2e-06 -6e-06 ] [ -1.33e-05 3.14e-05 7.01e-05 ] [ 5e-07 2.07e-05 4.9e-06 ] [ 3.23e-05 -3.07e-05 -1.62e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.53023011776e-15 1.650241919424e-14 -1.1006953384896e-13 ] [ 1.28174129664e-15 -2.387243164992e-14 4.8065298624e-16 ] [ -6.264510587328001e-14 -3.04413557952e-14 2.467351996032e-14 ] [ 2.259069035328e-14 3.52478856576e-15 -9.6130597248e-15 ] [ -2.130894905664e-14 5.030834589312e-14 1.1231258111808e-13 ] [ 8.010883104e-16 3.316505605055999e-14 7.850665441919999e-15 ] [ 5.175030485184e-14 -4.918682225856e-14 -2.595526125696e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }