{ "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" [ [ 1.0020812 -1.7098362 0.21614 ] [ -3.422154 1.675593 -0.60837 ] [ -0.8151961 0.9903762 1.0372717 ] [ -1.4877789 1.2213803 -1.6856559 ] [ 4.7230479 -2.1775134 1.0406142 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.605511070783209e-09 -2.739459585037513e-09 3.46294454819712e-10 ] [ -5.482895131577204e-09 2.684595930576135e-09 -9.74716190796096e-10 ] [ -1.306088132787339e-09 1.586757593436745e-09 1.661892467157472e-09 ] [ -2.383684570499541e-09 1.95686696176569e-09 -2.700718473693583e-09 ] [ 7.567156924298536e-09 -3.488761060958719e-09 1.667247742512495e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.956171 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.915589765048696e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4871066 0.0412406 2.3335188 ] [ 1.0272842 3.3911902 0.9309794 ] [ -0.4967298 2.0483856 1.9426948 ] [ 2.6191601 0.1435549 1.5633303 ] [ 2.9530087 2.213938 0.6965152 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.871066e-11 4.124060000000001e-12 2.3335188e-10 ] [ 1.0272842e-10 3.3911902e-10 9.309794000000001e-11 ] [ -4.967298e-11 2.0483856e-10 1.9426948e-10 ] [ 2.6191601e-10 1.435549e-11 1.5633303e-10 ] [ 2.9530087e-10 2.213938e-10 6.965152e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-06 -9e-06 3e-07 ] [ 4e-07 -1e-06 -1.5e-06 ] [ -6.5e-06 8.9e-06 1.5e-06 ] [ 1e-06 -5.3e-06 2.8e-06 ] [ 3.1e-06 6.5e-06 -3.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-15 -1.44195895872e-14 4.8065298624e-16 ] [ 6.408706483200001e-16 -1.6021766208e-15 -2.4032649312e-15 ] [ -1.04141480352e-14 1.425937192512e-14 2.4032649312e-15 ] [ 1.6021766208e-15 -8.491536090240001e-15 4.48609453824e-15 ] [ 4.96674752448e-15 1.04141480352e-14 -4.96674752448e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.066442 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.41391011310392e-18 } }