{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4659606 1.5268711 -8.8162347 ] [ -0.6566047 -0.9153142 5.0201757 ] [ -6.1360018 6.8956455 -3.9547077 ] [ -0.216443 -1.0953315 -1.3901911 ] [ 1.6144484 0.0575992 -2.7008418 ] [ 8.2841643 -5.9148774 8.8429184 ] [ 1.5763973 -0.5545928 2.9988813 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.15525772168462e-09 2.446317199549877e-09 -1.41251652362e-08 ] [ -1.05199670811458e-09 -1.466495024008403e-09 8.043208205114593e-09 ] [ -9.83095871014194e-09 1.104804209644725e-08 -6.336140271239882e-09 ] [ -3.46779917192862e-10 -1.754914535784171e-09 -2.227331697214757e-09 ] [ 2.586631503278685e-09 9.22840923770928e-11 -4.327225624090501e-09 ] [ 1.327269447367697e-08 -9.476678363254671e-09 1.416791723684866e-08 ] [ 2.525666919960688e-09 -8.885556255446351e-10 4.804737546999544e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.896749 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.027592970636286e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9963045 2.0569696 1.2423565 ] [ 1.8871285 1.6434026 3.887 ] [ 2.2592335 3.9819716 2.6340097 ] [ 3.3941648 0.3229101 2.108661 ] [ 4.5088928 2.7468295 1.8655365 ] [ 4.5208971 1.1761575 4.0358084 ] [ 3.8194637 3.4375754 4.3604999 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9963045e-10 2.0569696e-10 1.2423565e-10 ] [ 1.8871285e-10 1.6434026e-10 3.887e-10 ] [ 2.2592335e-10 3.9819716e-10 2.6340097e-10 ] [ 3.3941648e-10 3.229101e-11 2.108661e-10 ] [ 4.5088928e-10 2.7468295e-10 1.8655365e-10 ] [ 4.5208971e-10 1.1761575e-10 4.0358084e-10 ] [ 3.8194637e-10 3.4375754e-10 4.3604999e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-05 1.65e-05 -5.1e-06 ] [ -7.57e-05 -3.51e-05 5.55e-05 ] [ -3.37e-05 -2.03e-05 1.01e-05 ] [ -3.58e-05 -1e-06 1.78e-05 ] [ 9.6e-05 4.52e-05 -7.57e-05 ] [ 1.6e-05 -2.71e-05 5e-06 ] [ 1.1e-06 2.18e-05 -7.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.126965228799999e-14 2.6435914461e-14 -8.1711008334e-15 ] [ -1.212847711938e-13 -5.62363998534e-14 8.892080318699998e-14 ] [ -5.399335256579999e-14 -3.252418567019999e-14 1.61819840034e-14 ] [ -5.735792349719999e-14 -1.602176634e-15 2.851874408519999e-14 ] [ 1.53808956864e-13 7.24183838568e-14 -1.212847711938e-13 ] [ 2.5634826144e-14 -4.34189867814e-14 8.010883169999999e-15 ] [ 1.7623942974e-15 3.492745062119999e-14 -1.21765424184e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.729818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.481500666067262e-18 } }