{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.232696 1.429874 2.018017 ] [ 2.664166 0.3933008 4.008788 ] [ 2.480457 2.487888 4.841749 ] [ 1.659099 3.474448 2.765735 ] [ 4.127261 1.03872 2.31822 ] [ 4.538799 1.714568 4.545045 ] [ 3.952007 3.51716 3.378238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232696e-10 1.429874e-10 2.018017e-10 ] [ 2.664166e-10 3.933008e-11 4.008788e-10 ] [ 2.480457e-10 2.487888e-10 4.841749e-10 ] [ 1.659099e-10 3.474448e-10 2.765735e-10 ] [ 4.127261e-10 1.03872e-10 2.31822e-10 ] [ 4.538799e-10 1.714568e-10 4.545045e-10 ] [ 3.952007e-10 3.51716e-10 3.378238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.807926 -1.4391501 0.2524707 ] [ -2.3150573 -2.1841624 -0.3970769 ] [ -3.1987622 1.2086635 2.0902938 ] [ -0.2395921 1.2239977 0.5885456 ] [ 0.6881789 -0.3663126 -1.8684968 ] [ 3.0959741 -0.8780766 1.2229564 ] [ 1.1613324 2.4350405 -1.8886928 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.294440148536461e-09 -2.305772644041982e-09 4.045026529770106e-10 ] [ -3.709130681872372e-09 -3.499413933310418e-09 -6.361873258397395e-10 ] [ -5.124982012338774e-09 1.936492402114301e-09 3.349019856963191e-09 ] [ -3.838688611483757e-10 1.961060498852972e-09 9.429540005947085e-10 ] [ 1.102584144507861e-09 -5.868974836244621e-10 -2.993661888999614e-09 ] [ 4.960297321622322e-09 -1.406833799791553e-09 1.959392152337733e-09 ] [ 1.860659620257554e-09 3.901364959801143e-09 -3.026019448033291e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.275372 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.607602051322294e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.781295 1.2640339 2.0706802 ] [ 1.8064146 0.2050679 4.1237781 ] [ 2.2450904 2.2048401 5.1941594 ] [ 2.0049013 3.2512532 3.1767799 ] [ 4.0222306 1.4016009 1.5261328 ] [ 4.5314937 2.4346205 4.9558171 ] [ 4.2630594 3.2945423 2.8284445 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.781295e-10 1.2640339e-10 2.0706802e-10 ] [ 1.8064146e-10 2.050679e-11 4.1237781e-10 ] [ 2.2450904e-10 2.2048401e-10 5.194159400000001e-10 ] [ 2.0049013e-10 3.2512532e-10 3.1767799e-10 ] [ 4.022230600000001e-10 1.4016009e-10 1.5261328e-10 ] [ 4.531493700000001e-10 2.4346205e-10 4.9558171e-10 ] [ 4.263059400000001e-10 3.2945423e-10 2.8284445e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.4e-06 4.3e-06 5.7e-06 ] [ 1.04e-05 -6.5e-06 -6.6e-06 ] [ -5.7e-06 -2.2e-06 7.3e-06 ] [ 9.2e-06 6.6e-06 5.2e-06 ] [ -1e-07 -4.5e-06 5.1e-06 ] [ -1.51e-05 0.0 -2e-07 ] [ 5.8e-06 2.3e-06 -1.65e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.04957713152e-15 6.889359469440001e-15 9.13240673856e-15 ] [ 1.666263685632e-14 -1.04141480352e-14 -1.057436569728e-14 ] [ -9.13240673856e-15 -3.52478856576e-15 1.169588933184e-14 ] [ 1.474002491136e-14 1.057436569728e-14 8.33131842816e-15 ] [ -1.6021766208e-16 -7.2097947936e-15 8.17110076608e-15 ] [ -2.419286697408e-14 0.0 -3.2043532416e-16 ] [ 9.292624400640001e-15 3.68500622784e-15 -2.64359142432e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }