{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.1448173 -2.9991283 -6.1205921 ] [ -2.4354879 -1.0926352 0.5998469 ] [ 3.1002702 -2.8790583 5.7649708 ] [ -3.8630674 3.0782653 -1.5335299 ] [ 3.5602802 1.8440247 -2.0264427 ] [ -0.6645968 -3.1511353 4.6750388 ] [ 4.4474189 5.199667 -1.3592918 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.640729430258967e-09 -4.805133284628142e-09 -9.80626964886499e-09 ] [ -3.902081805769728e-09 -1.750594586925917e-09 9.610606871573344e-10 ] [ 4.967180473526507e-09 -4.612759936183762e-09 9.236501511452288e-09 ] [ -6.189316323847131e-09 4.931924736912999e-09 -2.456985773320356e-09 ] [ 5.704197746932846e-09 2.95445328685886e-09 -3.246719144079872e-09 ] [ -1.064801463991171e-09 -5.048675348232579e-09 7.4902379284034e-09 ] [ 7.125550643189981e-09 8.330784971980876e-09 -2.177825560747801e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.172955 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.110540070173347e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.459811 2.6211279 0.6798336 ] [ 1.4241346 2.1544939 2.8356377 ] [ 3.2133666 3.2015469 5.6074706 ] [ 1.9716045 4.3049671 3.8921034 ] [ 4.5493675 2.3574936 2.0373512 ] [ 3.4744624 1.4572606 3.9976983 ] [ 3.3810663 4.571299 1.9552651 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.459811000000001e-10 2.6211279e-10 6.798336000000001e-11 ] [ 1.4241346e-10 2.1544939e-10 2.8356377e-10 ] [ 3.2133666e-10 3.2015469e-10 5.6074706e-10 ] [ 1.9716045e-10 4.3049671e-10 3.8921034e-10 ] [ 4.5493675e-10 2.3574936e-10 2.0373512e-10 ] [ 3.4744624e-10 1.4572606e-10 3.9976983e-10 ] [ 3.3810663e-10 4.571299e-10 1.9552651e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001304 -7.85e-05 -0.0001343 ] [ -3.09e-05 1.1e-05 -2.24e-05 ] [ 0.0 -0.0001072 7.86e-05 ] [ 5.24e-05 9.96e-05 -0.0001292 ] [ 0.000118 -9.76e-05 5.52e-05 ] [ 7.61e-05 2.35e-05 5.44e-05 ] [ -8.53e-05 0.0001492 9.76e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.089238330736e-13 -1.25770865769e-13 -2.151723219462e-13 ] [ -4.950725799059999e-14 1.7623942974e-14 -3.588875660159999e-14 ] [ 0.0 -1.717533351648e-13 1.259310834324e-13 ] [ 8.395405562159998e-14 1.595767927464e-13 -2.070012211128e-13 ] [ 1.89056842812e-13 -1.563724394784e-13 8.844015019679999e-14 ] [ 1.219256418474e-13 3.765115089899999e-14 8.71584088896e-14 ] [ -1.366656668802e-13 2.390447537928e-13 1.563724394784e-13 ] ] } "relaxed-potential-energy" { "source-value" -18.063306 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.894060680599201e-18 } }