{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.3590225 0.3408236 -0.7441137 ] [ -1.5631491 3.9949479 1.0055066 ] [ 0.8476057 -4.1938882 -0.6245276 ] [ 2.7944824 1.6717009 6.1111506 ] [ -0.5564143 1.8197778 0.0344866 ] [ 3.3411141 0.2416961 -6.386692 ] [ -0.5046163 -3.8750582 0.6041895 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.983923996580264e-09 5.460596082357623e-10 -1.192201583179286e-09 ] [ -2.504440963478129e-09 6.400612179427368e-09 1.610999179852784e-09 ] [ 1.358014047385214e-09 -6.719349679648318e-09 -1.000603528008098e-09 ] [ 4.477254405404241e-09 2.67836012101677e-09 9.79114269817508e-09 ] [ -8.914739902834661e-10 2.915605470231925e-09 5.52536247061044e-11 ] [ 5.353054942547938e-09 3.872398439489274e-10 -1.023260869095473e-08 ] [ -8.084844449955341e-10 -6.208527703430098e-09 9.68018299408143e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -14.113994 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.261311139921619e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5121696 2.9007423 1.4844109 ] [ 2.6810526 2.6539374 3.6938353 ] [ 3.2657146 1.1414089 1.7757155 ] [ 5.107495 3.3015825 3.735033 ] [ 3.2631066 4.5434426 1.0635007 ] [ 4.9843001 2.8165727 1.3494515 ] [ 3.3539285 5.0608945 3.443712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5121696e-10 2.9007423e-10 1.4844109e-10 ] [ 2.6810526e-10 2.6539374e-10 3.6938353e-10 ] [ 3.2657146e-10 1.1414089e-10 1.7757155e-10 ] [ 5.107495000000001e-10 3.3015825e-10 3.735033e-10 ] [ 3.2631066e-10 4.5434426e-10 1.0635007e-10 ] [ 4.984300099999999e-10 2.8165727e-10 1.3494515e-10 ] [ 3.3539285e-10 5.0608945e-10 3.443712e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.12e-05 3.62e-05 -3.74e-05 ] [ 5.82e-05 9.04e-05 3.88e-05 ] [ 5.63e-05 -5.92e-05 -5.2e-06 ] [ -7.35e-05 9e-07 -4.3e-06 ] [ -1.18e-05 6.4e-06 5e-07 ] [ 1.2e-05 6e-07 -8.5e-06 ] [ 1.99e-05 -7.54e-05 1.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.805321000079999e-14 5.799879415079998e-14 -5.99214061116e-14 ] [ 9.324668009879999e-14 1.448367677136e-13 6.21644533992e-14 ] [ 9.02025444942e-14 -9.48488567328e-14 -8.331318496799998e-15 ] [ -1.17759982599e-13 1.4419589706e-15 -6.8893595262e-15 ] [ -1.89056842812e-14 1.02539304576e-14 8.010883169999999e-16 ] [ 1.9226119608e-14 9.613059803999998e-16 -1.3618501389e-14 ] [ 3.18833150166e-14 -1.208041182036e-13 2.5634826144e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.65628 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.828847925936151e-18 } }