{ "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" [ [ 1.152391 0.2084818 1.476287 ] [ 0.2004725 1.985654 1.37487 ] [ 0.8976264 2.29727 2.845471 ] [ 1.752289 1.001076 2.997864 ] [ 1.785348 1.533822 0.3428561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.152391e-10 2.084818e-11 1.476287e-10 ] [ 2.004725e-11 1.985654e-10 1.37487e-10 ] [ 8.976264000000001e-11 2.29727e-10 2.845471e-10 ] [ 1.752289e-10 1.001076e-10 2.997864e-10 ] [ 1.785348e-10 1.533822e-10 3.428561e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.8124874 -36.5809373 -8.7444964 ] [ -33.0531051 8.4680244 -27.8463315 ] [ -15.2616274 53.663555 37.0584639 ] [ 35.9918373 -35.4925307 37.4594307 ] [ 19.1353826 9.9418886 -37.9270668 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.091480813169941e-08 -5.860912299187905e-08 -1.401022780817711e-08 ] [ -5.295691267236623e-08 1.356727082982187e-08 -4.461474167191818e-08 ] [ -2.445182281709417e-08 8.597849391837387e-08 5.93742049525125e-08 ] [ 5.766528073678965e-08 -5.686530336906767e-08 6.001662459048226e-08 ] [ 3.065826288437017e-08 1.592866161275097e-08 -6.076586022311715e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 30.462891 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.880693216428889e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3933454 0.0373 1.4069323 ] [ 0.1472262 2.2065347 1.1560276 ] [ 0.6707639 2.6806927 3.4283875 ] [ 1.840411 0.6445947 3.6638997 ] [ 1.7363804 1.4571817 -0.617899 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3933454e-10 3.73e-12 1.4069323e-10 ] [ 1.472262e-11 2.2065347e-10 1.1560276e-10 ] [ 6.707639e-11 2.6806927e-10 3.4283875e-10 ] [ 1.840411e-10 6.445947e-11 3.6638997e-10 ] [ 1.7363804e-10 1.4571817e-10 -6.17899e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.26e-05 -6.16e-05 5.14e-05 ] [ -4.4e-06 1.65e-05 -8.62e-05 ] [ 4.9e-06 2.23e-05 5.23e-05 ] [ 1.3e-06 -1.48e-05 -6.4e-06 ] [ -2.43e-05 3.76e-05 -1.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.62091919284e-14 -9.86940806544e-14 8.23518789876e-14 ] [ -7.0495771896e-15 2.6435914461e-14 -1.381076258508e-13 ] [ 7.850665506599998e-15 3.572853893819999e-14 8.379383795819998e-14 ] [ 2.0828296242e-15 -2.37122141832e-14 -1.02539304576e-14 ] [ -3.893289220619999e-14 6.024184143839999e-14 -1.77841606374e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.146626 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.785886372513688e-18 } }