{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7761245 -24.9516294 -8.8976496 ] [ 5.0331395 -47.7444622 69.4039802 ] [ -20.5684577 62.0653379 -66.7837999 ] [ 2.7812958 2.0116566 0.0597776 ] [ 7.0517886 -2.5023848 1.2333497 ] [ -0.1006395 -0.467731 0.6340623 ] [ 7.5789977 11.5892129 4.3502797 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.84566514953009e-09 -3.997691727554594e-08 -1.425560616919047e-08 ] [ 8.063978436125002e-09 -7.649506110950934e-08 1.111974344669061e-07 ] [ -3.295430205285374e-08 9.943963334543217e-08 -1.069994428479654e-07 ] [ 4.456127106289232e-09 3.223029173598017e-09 9.577427316753409e-11 ] [ 1.129821082974396e-08 -4.009262422805284e-09 1.976044054610694e-09 ] [ -1.612422540290016e-10 -7.493876730234048e-10 1.015879793190676e-09 ] [ 1.214289292403697e-08 1.856796596185377e-08 6.969916429280837e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.0994776 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.170263789013295e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5020965 1.3888632 2.2226939 ] [ 2.5417175 2.6155388 4.5578878 ] [ 2.1718684 4.0560311 2.2161389 ] [ 4.647591 2.8905868 1.8608586 ] [ 5.1685941 2.8032223 4.3969417 ] [ 5.0810513 5.4313977 1.9032684 ] [ 3.7748374 5.0373821 4.0873666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5020965e-10 1.3888632e-10 2.2226939e-10 ] [ 2.5417175e-10 2.6155388e-10 4.5578878e-10 ] [ 2.1718684e-10 4.0560311e-10 2.2161389e-10 ] [ 4.647591e-10 2.8905868e-10 1.8608586e-10 ] [ 5.1685941e-10 2.8032223e-10 4.3969417e-10 ] [ 5.0810513e-10 5.4313977e-10 1.9032684e-10 ] [ 3.7748374e-10 5.0373821e-10 4.0873666e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.32e-05 -2.09e-05 -1.25e-05 ] [ 1.21e-05 8e-06 -1.32e-05 ] [ 7.9e-06 -6.5e-06 9.6e-06 ] [ -1.42e-05 1.07e-05 1.25e-05 ] [ -5.2e-06 1.16e-05 5e-06 ] [ 3.6e-06 1.5e-06 2.4e-06 ] [ 8.9e-06 -4.4e-06 -3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.114873139456e-14 -3.348549137472e-14 -2.002720776e-14 ] [ 1.938633711168e-14 1.28174129664e-14 -2.114873139456e-14 ] [ 1.265719530432e-14 -1.04141480352e-14 1.538089555968e-14 ] [ -2.275090801536e-14 1.714328984256e-14 2.002720776e-14 ] [ -8.33131842816e-15 1.858524880128e-14 8.010883104e-15 ] [ 5.76783583488e-15 2.4032649312e-15 3.84522388992e-15 ] [ 1.425937192512e-14 -7.04957713152e-15 -5.928053496960001e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.35204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.901626915678643e-18 } }