{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -19.9689915 12.9344954 3.1898693 ] [ 9.2000542 -13.8422624 5.0068833 ] [ 2.81802 8.2211556 -9.2663507 ] [ 5.148045 -10.1914675 -7.418925 ] [ 7.2329851 1.5745419 5.9220691 ] [ -5.9901783 2.1015319 -6.2806916 ] [ 1.5600654 -0.7979949 8.8471457 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.199385132225393e-08 2.072334613172515e-08 5.110734015867661e-09 ] [ 1.474011174933285e-08 -2.21777491962589e-08 8.021911366333953e-09 ] [ 4.514965760946816e-09 1.3171743298279e-08 -1.484633045167372e-08 ] [ 8.248077341826335e-09 -1.632853096014302e-08 -1.188642818646864e-08 ] [ 1.158851962581475e-08 2.522694220650012e-09 9.488200658782098e-09 ] [ -9.597323626683489e-09 3.367025278045403e-09 -1.006277724397495e-08 ] [ 2.499500310799e-09 -1.278528772297634e-09 1.417469000135125e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -16.950924 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.715837413375762e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5783947 2.4049428 3.5999579 ] [ 1.5397626 4.5433923 3.1233085 ] [ 2.921345 3.6335873 1.350606 ] [ 4.6986936 2.1730435 2.3101925 ] [ 4.6242006 2.7692013 4.8773478 ] [ 5.1441321 4.6312763 1.4676977 ] [ 6.2673904 3.9032045 3.4943044 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5783947e-10 2.4049428e-10 3.5999579e-10 ] [ 1.5397626e-10 4.5433923e-10 3.1233085e-10 ] [ 2.921345e-10 3.6335873e-10 1.350606e-10 ] [ 4.698693600000001e-10 2.1730435e-10 2.3101925e-10 ] [ 4.6242006e-10 2.7692013e-10 4.8773478e-10 ] [ 5.1441321e-10 4.6312763e-10 1.4676977e-10 ] [ 6.2673904e-10 3.9032045e-10 3.4943044e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.57e-05 -1.39e-05 -1.83e-05 ] [ -8.39e-05 0.0001158 -5.04e-05 ] [ 0.0001236 -8.8e-05 2.39e-05 ] [ 8.1e-06 0.0001425 -1.76e-05 ] [ 9.77e-05 -2.23e-05 2.62e-05 ] [ -9.64e-05 -6.07e-05 0.0001075 ] [ -7.49e-05 -7.34e-05 -7.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.117593915456e-14 -2.227025502912e-14 -2.931983216064e-14 ] [ -1.3442261848512e-13 1.8553205268864e-13 -8.074970168832e-14 ] [ 1.9802903033088e-13 -1.409915426304e-13 3.829202123712e-14 ] [ 1.297763062848e-14 2.28310168464e-13 -2.819830852608e-14 ] [ 1.5653265585216e-13 -3.572853864384e-14 4.197702746496e-14 ] [ -1.5444982624512e-13 -9.725212088256e-14 1.72233986736e-13 ] [ -1.2000302889792e-13 -1.1759976396672e-13 -1.1407497540096e-13 ] ] } "relaxed-potential-energy" { "source-value" -24.900176 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.989447984100526e-18 } }