{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.506051 0.5646284 -0.2315441 ] [ -0.0168461 0.3338732 0.1021044 ] [ -2.70684 0.9256151 0.1694123 ] [ -0.3996995 -1.73227 -1.0831001 ] [ 1.230545 -2.2363823 1.4793314 ] [ 0.1673269 1.2302532 0.7454349 ] [ 1.2194627 0.9142824 -1.1816388 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.107830811324609e-10 9.046344219197108e-10 -3.709745437041773e-10 ] [ -2.699042757165888e-11 5.349238353516825e-10 1.635892825608115e-10 ] [ -4.336835764246273e-09 1.482998873079454e-09 2.714284263359558e-10 ] [ -6.403891942454496e-10 -2.775402494913216e-09 -1.735317658206142e-09 ] [ 1.971550429842336e-09 -3.583079436230932e-09 2.370150183495333e-09 ] [ 2.680872472109395e-10 1.971082914704386e-09 1.194318369108386e-09 ] [ 1.953794627877644e-09 1.464841886088914e-09 -1.893194059590167e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.581452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.015770825011741e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7064838 1.7833389 2.8554851 ] [ 1.9002024 3.8022497 1.417504 ] [ 2.0262549 4.0655401 3.7885743 ] [ 3.7977339 1.323819 1.5917874 ] [ 3.9237872 1.5870714 3.9628672 ] [ 4.1702627 3.5650942 1.3689263 ] [ 4.2915131 3.8183287 3.6498078 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7064838e-10 1.7833389e-10 2.8554851e-10 ] [ 1.9002024e-10 3.8022497e-10 1.417504e-10 ] [ 2.0262549e-10 4.0655401e-10 3.7885743e-10 ] [ 3.7977339e-10 1.323819e-10 1.5917874e-10 ] [ 3.9237872e-10 1.5870714e-10 3.9628672e-10 ] [ 4.1702627e-10 3.5650942e-10 1.3689263e-10 ] [ 4.291513100000001e-10 3.8183287e-10 3.6498078e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.77e-05 -1.3e-06 -7.8e-06 ] [ 1.03e-05 8.5e-06 -5.02e-05 ] [ 1.53e-05 -1.46e-05 3.81e-05 ] [ -1.73e-05 -1.62e-05 -3.7e-06 ] [ -7.5e-06 -2.75e-05 2.28e-05 ] [ -2.25e-05 6.7e-06 -1.96e-05 ] [ 4e-06 4.43e-05 2.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.835852618816e-14 -2.08282960704e-15 -1.249697764224e-14 ] [ 1.650241919424e-14 1.36185012768e-14 -8.042926636416e-14 ] [ 2.451330229824e-14 -2.339177866368e-14 6.104292925248e-14 ] [ -2.771765553984e-14 -2.595526125696e-14 -5.928053496960001e-15 ] [ -1.2016324656e-14 -4.4059857072e-14 3.652962695424e-14 ] [ -3.604897396800001e-14 1.073458335936e-14 -3.140266176767999e-14 ] [ 6.4087064832e-15 7.097642430144e-14 3.268440306432e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }