{ "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" [ [ 0.3527209 0.4565602 1.167471 ] [ 0.6414148 2.926013 0.4472085 ] [ 0.2560781 2.125953 2.651252 ] [ 2.793307 0.1807352 2.367537 ] [ 2.546309 2.149048 0.8335699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.527209e-11 4.565602e-11 1.167471e-10 ] [ 6.414148e-11 2.926013000000001e-10 4.472085e-11 ] [ 2.560781e-11 2.125953e-10 2.651252e-10 ] [ 2.793307e-10 1.807352e-11 2.367537e-10 ] [ 2.546309e-10 2.149048e-10 8.335699e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.1482319 -16.0162305 -0.801524 ] [ -3.9525088 10.739844 -7.5610469 ] [ -9.7267564 3.563238 13.6906035 ] [ 2.5559297 -2.4312586 0.9732454 ] [ 19.2715674 4.1444071 -6.301278 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.305490665103676e-08 -2.566083006044389e-08 -1.284183013810099e-09 ] [ -6.332617192866264e-09 1.720712696783916e-08 -1.211413257195231e-08 ] [ -1.558398170029677e-08 5.708936617946151e-09 2.193476485234265e-08 ] [ 4.095050809748358e-09 -3.89530568803894e-09 1.559311026181144e-09 ] [ 3.087645473445144e-08 6.640072162697527e-09 -1.009576029276138e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 0.067312348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.078462702567536e-20 } "relaxed-configuration-positions" { "source-value" [ [ 0.4563474 -0.0252521 2.3438944 ] [ 1.0128645 3.4606194 0.9218163 ] [ -0.5697301 2.0532385 1.9449441 ] [ 2.6732108 0.0976693 1.5676685 ] [ 3.0171371 2.2520342 0.6887152 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.563474e-11 -2.52521e-12 2.3438944e-10 ] [ 1.0128645e-10 3.4606194e-10 9.218163000000001e-11 ] [ -5.697301e-11 2.0532385e-10 1.9449441e-10 ] [ 2.6732108e-10 9.76693e-12 1.5676685e-10 ] [ 3.0171371e-10 2.2520342e-10 6.887152e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.5e-06 -1e-06 1.56e-05 ] [ 1.53e-05 3.4e-06 4.8e-06 ] [ -4.68e-05 2.8e-06 -3.1e-06 ] [ 1.33e-05 4.6e-06 -1.66e-05 ] [ 1.17e-05 -9.7e-06 -8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.04141480352e-14 -1.6021766208e-15 2.499395528448e-14 ] [ 2.451330229824e-14 5.44740051072e-15 7.69044777984e-15 ] [ -7.498186585344001e-14 4.48609453824e-15 -4.96674752448e-15 ] [ 2.130894905664e-14 7.370012455680001e-15 -2.659613190528e-14 ] [ 1.874546646336e-14 -1.554111322176e-14 -1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.83321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.735671579021677e-18 } }