{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.649462 0.9916265 2.612716 ] [ 1.648491 2.667782 3.780456 ] [ 2.525478 3.798893 2.25676 ] [ 4.349928 2.588165 2.084291 ] [ 3.878534 1.770814 4.034173 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.649462e-10 9.916265e-11 2.612716e-10 ] [ 1.648491e-10 2.667782e-10 3.780456e-10 ] [ 2.525478e-10 3.798893e-10 2.25676e-10 ] [ 4.349928e-10 2.588165e-10 2.084291e-10 ] [ 3.878534e-10 1.770814e-10 4.034173e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.020833 -8.90799 -8.5853083 ] [ -8.0956645 -1.0852682 7.972939 ] [ 0.5479914 6.7037114 -5.4724536 ] [ 7.234777 1.9844469 -6.8385469 ] [ 7.3337291 1.3050999 12.9233699 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.124861449114113e-08 -1.427217331632019e-08 -1.375518024062019e-08 ] [ -1.297068439174052e-08 -1.738791337337699e-09 1.277405646486453e-08 ] [ 8.779790094794612e-10 1.074052967767044e-08 -8.767837216332794e-09 ] [ 1.159139056610156e-08 3.179434428399035e-09 -1.095655996342432e-08 ] [ 1.174992930730063e-08 2.091000547588418e-09 2.070552111573044e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.5349565 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.265801280644995e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.6037011 0.7283622 2.4451896 ] [ 1.5609506 2.5889819 3.8587598 ] [ 2.5531961 4.1266843 2.2210202 ] [ 4.3655974 2.5012959 1.8976247 ] [ 3.9684477 1.8719563 4.3458017 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6037011e-10 7.283621999999999e-11 2.4451896e-10 ] [ 1.5609506e-10 2.5889819e-10 3.8587598e-10 ] [ 2.5531961e-10 4.1266843e-10 2.2210202e-10 ] [ 4.365597400000001e-10 2.5012959e-10 1.8976247e-10 ] [ 3.9684477e-10 1.8719563e-10 4.3458017e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.8e-06 2.23e-05 1.98e-05 ] [ 2.13e-05 -4.09e-05 -2.52e-05 ] [ 1.18e-05 1.34e-05 1.26e-05 ] [ -1.18e-05 -1.21e-05 -1.4e-05 ] [ -1.25e-05 1.74e-05 6.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.409915426304e-14 3.572853864384e-14 3.172309709184e-14 ] [ 3.412636202304e-14 -6.552902379072e-14 -4.037485084416e-14 ] [ 1.890568412544e-14 2.146916671872e-14 2.018742542208e-14 ] [ -1.890568412544e-14 -1.938633711168e-14 -2.24304726912e-14 ] [ -2.002720776e-14 2.787787320192e-14 1.089480102144e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.977047 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.758716806882278e-18 } }