{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.1028 0.2583089 1.436622 ] [ 0.0542075 1.282802 2.764068 ] [ 0.3917807 2.567162 0.7355983 ] [ 2.495357 1.268739 0.0869323 ] [ 2.96001 0.2024969 2.578704 ] [ 2.541972 2.542294 2.28683 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1028e-10 2.583089e-11 1.436622e-10 ] [ 5.42075e-12 1.282802e-10 2.764068e-10 ] [ 3.917807e-11 2.567162e-10 7.355983000000001e-11 ] [ 2.495357e-10 1.268739e-10 8.693230000000001e-12 ] [ 2.96001e-10 2.024969e-11 2.578704e-10 ] [ 2.541972e-10 2.542294e-10 2.28683e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9510071 -18.5532328 -5.3058606 ] [ -9.1887158 3.246152 8.7283841 ] [ -5.1693838 7.9497877 -4.6740731 ] [ 4.972822 1.6763141 -10.3987419 ] [ 7.2436859 -4.7441974 6.125919 ] [ 7.0925989 10.4251764 5.5243725 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.932387825034809e-09 -2.972555583241972e-08 -8.500925806543861e-09 ] [ -1.472194562993557e-08 5.200908841963162e-09 1.398441294238245e-08 ] [ -8.282265868302263e-09 1.27369639932634e-08 -7.488690644730181e-09 ] [ 7.967339147799897e-09 2.685751260137393e-09 -1.666062115791337e-08 ] [ 1.160566419739861e-08 -7.601042158740147e-09 9.814804202714515e-09 ] [ 1.13635961382918e-08 1.670297389579591e-08 8.85102046409045e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.722485 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.16843167987869e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1991439 -0.3048481 1.371356 ] [ 0.2257008 1.6918033 2.6492585 ] [ 0.0842194 2.6931524 0.4344003 ] [ 2.2515465 1.6420101 0.079281 ] [ 3.0978247 0.014119 2.8618522 ] [ 2.6876919 2.385566 2.4926065 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1991439e-10 -3.048481000000001e-11 1.371356e-10 ] [ 2.257008e-11 1.6918033e-10 2.6492585e-10 ] [ 8.42194e-12 2.6931524e-10 4.344003000000001e-11 ] [ 2.2515465e-10 1.6420101e-10 7.9281e-12 ] [ 3.0978247e-10 1.4119e-12 2.8618522e-10 ] [ 2.6876919e-10 2.385566e-10 2.4926065e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.77e-05 3.18e-05 -2.71e-05 ] [ 1.15e-05 -1.11e-05 -7e-07 ] [ 7.3e-06 -1.82e-05 3.4e-06 ] [ -7.4e-06 -2.35e-05 1.82e-05 ] [ 3.4e-06 4.1e-06 1e-06 ] [ 2.9e-06 1.7e-05 5.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.835852618816e-14 5.094921654144e-14 -4.341898642368e-14 ] [ 1.84250311392e-14 -1.778416049088e-14 -1.12152363456e-15 ] [ 1.169588933184e-14 -2.915961449856e-14 5.44740051072e-15 ] [ -1.185610699392e-14 -3.76511505888e-14 2.915961449856e-14 ] [ 5.44740051072e-15 6.568924145279999e-15 1.6021766208e-15 ] [ 4.646312200320001e-15 2.72370025536e-14 8.33131842816e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.949664 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.395200214961541e-18 } }