{ "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" [ [ 2.279778 0.7751999 2.437046 ] [ 2.78251 2.893695 2.394675 ] [ 4.420807 1.465039 1.355448 ] [ 4.595919 1.28038 3.495826 ] [ 3.524345 3.582501 0.1223867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.279778e-10 7.751999000000001e-11 2.437046e-10 ] [ 2.78251e-10 2.893695e-10 2.394675e-10 ] [ 4.420807e-10 1.465039e-10 1.355448e-10 ] [ 4.595919e-10 1.28038e-10 3.495826e-10 ] [ 3.524345e-10 3.582501e-10 1.223867e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1217018 -3.6418838 0.361907 ] [ 0.8704906 4.1285586 0.017548 ] [ -0.1667948 0.5052272 -5.4678758 ] [ -0.8401355 0.0994364 3.7530505 ] [ 0.2581415 -1.0913383 1.3353703 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.949877802757412e-10 -5.834941128103129e-09 5.798389390810379e-10 ] [ 1.39467969943664e-09 6.614680121019751e-09 2.8114995573432e-11 ] [ -2.672347312327032e-10 8.094632147012447e-10 -8.760502844374054e-09 ] [ -1.346045467493907e-09 1.593146766490776e-10 6.013049817322016e-09 ] [ 4.13588279565711e-10 -1.748516724049282e-09 2.13949909239757e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.578972 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.015373501814025e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4135299 0.5640367 2.4890928 ] [ 2.8232005 3.0024963 2.4401693 ] [ 4.2566211 1.3897058 1.0616488 ] [ 4.4361716 1.4747762 3.5267729 ] [ 3.6738359 3.5657999 0.2876978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4135299e-10 5.640367e-11 2.4890928e-10 ] [ 2.8232005e-10 3.0024963e-10 2.4401693e-10 ] [ 4.2566211e-10 1.3897058e-10 1.0616488e-10 ] [ 4.4361716e-10 1.4747762e-10 3.5267729e-10 ] [ 3.6738359e-10 3.5657999e-10 2.876978e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.7e-06 9.1e-06 -5.5e-06 ] [ -2.1e-06 -8.8e-06 9.9e-06 ] [ -3e-06 -1.2e-05 1.14e-05 ] [ -5.9e-06 1.01e-05 -1.83e-05 ] [ 3.2e-06 1.7e-06 2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.23367600818e-14 1.45798073694e-14 -8.811971486999999e-15 ] [ -3.364570931399999e-15 -1.40991543792e-14 1.58615486766e-14 ] [ -4.806529901999999e-15 -1.9226119608e-14 1.82648136276e-14 ] [ -9.452842140600001e-15 1.61819840034e-14 -2.93198324022e-14 ] [ 5.1269652288e-15 2.7237002778e-15 4.005441585e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.106817 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.260161257751397e-18 } }