{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.0494804 -6.9957048 -1.7516324 ] [ -7.8545375 7.805905 -6.2299487 ] [ 3.2116591 0.5390613 9.3142657 ] [ -1.5420681 2.1471633 1.0739821 ] [ 2.146848 -1.5592639 -0.7940949 ] [ 0.487704 -0.2652929 -0.0654684 ] [ -3.499086 -1.6718679 -1.5471035 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.129451268566783e-08 -1.120835467657834e-08 -2.806424479515794e-09 ] [ -1.258435634969688e-08 1.250643849518583e-08 -9.981478155923352e-09 ] [ 5.14564512399957e-09 8.63671412038055e-10 1.492309874445935e-08 ] [ -2.470665457501477e-09 3.440134840299777e-09 1.720709011777688e-09 ] [ 3.439629674011239e-09 -2.498216166237429e-09 -1.272280283476514e-09 ] [ 7.813879466706433e-10 -4.250460820442323e-10 -1.048919398811827e-10 ] [ -5.606153783368589e-09 -2.678627662445992e-09 -2.478733057657853e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.314267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.972963068968895e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.6005094 1.0888521 2.1414162 ] [ 1.4682412 3.8258611 2.2021791 ] [ 1.9800962 1.9722779 3.7209471 ] [ 3.1230578 5.2220344 3.3037135 ] [ 4.7602399 3.3743874 2.5184579 ] [ 3.0770699 2.9843939 0.588269 ] [ 3.6465085 3.3264882 4.8568539 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.6005094e-10 1.0888521e-10 2.1414162e-10 ] [ 1.4682412e-10 3.8258611e-10 2.2021791e-10 ] [ 1.9800962e-10 1.9722779e-10 3.7209471e-10 ] [ 3.123057800000001e-10 5.2220344e-10 3.3037135e-10 ] [ 4.760239900000001e-10 3.3743874e-10 2.5184579e-10 ] [ 3.0770699e-10 2.9843939e-10 5.882690000000001e-11 ] [ 3.6465085e-10 3.3264882e-10 4.8568539e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.7e-06 5.1e-06 -1.4e-06 ] [ 3e-06 -5.3e-06 2.4e-06 ] [ 8e-07 -1.03e-05 3.5e-06 ] [ 8.5e-06 3e-06 -5.6e-06 ] [ -6.5e-06 -1.23e-05 2.3e-06 ] [ -3.6e-06 1.1e-05 -1.3e-06 ] [ -7.1e-06 8.9e-06 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.53023011776e-15 8.17110076608e-15 -2.24304726912e-15 ] [ 4.8065298624e-15 -8.491536090240001e-15 3.84522388992e-15 ] [ 1.28174129664e-15 -1.650241919424e-14 5.6076181728e-15 ] [ 1.36185012768e-14 4.8065298624e-15 -8.972189076479999e-15 ] [ -1.04141480352e-14 -1.970677243584e-14 3.68500622784e-15 ] [ -5.76783583488e-15 1.76239428288e-14 -2.08282960704e-15 ] [ -1.137545400768e-14 1.425937192512e-14 1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -17.735789 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.841586648724181e-18 } }