{ "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" [ [ 0.0780347 0.0112197 1.661349 ] [ 1.004167 1.583481 0.6099477 ] [ 1.186614 2.044688 2.371218 ] [ 2.525789 0.4216906 0.1723184 ] [ 2.89399 2.924329 1.948013 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.80347e-12 1.12197e-12 1.661349e-10 ] [ 1.004167e-10 1.583481e-10 6.099477e-11 ] [ 1.186614e-10 2.044688e-10 2.371218e-10 ] [ 2.525789e-10 4.216906e-11 1.723184e-11 ] [ 2.89399e-10 2.924329e-10 1.948013e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3502572 -3.2304807 4.6425575 ] [ -42.3169493 -2.1554508 -133.1909995 ] [ -23.7001573 13.4590744 146.8919965 ] [ 31.7554481 -24.2952938 -6.7108302 ] [ 34.6119157 16.2221509 -11.6327244 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.611738971068697e-10 -5.175800651485619e-09 7.438197087219695e-09 ] [ -6.779922683203893e-08 -3.453412879044657e-09 -2.133955054998845e-07 ] [ -3.797183793534245e-08 2.156381434128779e-08 2.353469225749354e-07 ] [ 5.087783652884778e-08 -3.892535172182719e-08 -1.075193525259859e-08 ] [ 5.545440213564047e-08 2.599075091106968e-08 -1.863767906988971e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 2.9622287 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.746013568602777e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2938665 0.0882877 1.3634594 ] [ 0.8723857 2.0218917 0.4500553 ] [ 1.3071076 1.626582 2.5942352 ] [ 2.4336636 0.5427713 1.013417 ] [ 2.7815713 2.7058755 1.3416792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.938665e-11 8.82877e-12 1.3634594e-10 ] [ 8.723857e-11 2.0218917e-10 4.500553e-11 ] [ 1.3071076e-10 1.626582e-10 2.5942352e-10 ] [ 2.4336636e-10 5.427713e-11 1.013417e-10 ] [ 2.7815713e-10 2.7058755e-10 1.3416792e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.91e-05 3.57e-05 -1.6e-06 ] [ 1.66e-05 -1e-05 5.6e-06 ] [ -1.46e-05 -7.8e-06 1.5e-05 ] [ -1.74e-05 5.6e-06 -6.4e-06 ] [ -2.37e-05 -2.36e-05 -1.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.264510587328001e-14 5.719770536256001e-14 -2.56348259328e-15 ] [ 2.659613190528e-14 -1.6021766208e-14 8.972189076479999e-15 ] [ -2.339177866368e-14 -1.249697764224e-14 2.4032649312e-14 ] [ -2.787787320192e-14 8.972189076479999e-15 -1.025393037312e-14 ] [ -3.797158591296e-14 -3.781136825088e-14 -2.002720776e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }