{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.331987 2.725643 2.897481 ] [ 2.736578 2.541304 1.125105 ] [ 1.73273 1.005545 4.481047 ] [ 2.473311 4.730527 2.221702 ] [ 3.99816 2.852734 3.21894 ] [ 4.698265 3.839392 1.5336 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.331987e-10 2.725643e-10 2.897481e-10 ] [ 2.736578e-10 2.541304e-10 1.125105e-10 ] [ 1.73273e-10 1.005545e-10 4.481047e-10 ] [ 2.473311e-10 4.730527000000001e-10 2.221702e-10 ] [ 3.99816e-10 2.852734e-10 3.21894e-10 ] [ 4.698265e-10 3.839392e-10 1.5336e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.1700061 -1.7362627 1.0054178 ] [ -1.8655778 -5.8377415 -7.3351397 ] [ 0.8650343 -0.1596206 0.5184212 ] [ -2.2368338 10.5732152 -0.9170155 ] [ 7.9600749 -5.5187381 8.7111272 ] [ 2.4473084 2.6791478 -1.9828111 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.148761614441339e-08 -2.781799505507084e-09 1.61085689329617e-09 ] [ -2.988985135443498e-09 -9.353092949573924e-09 -1.175218933764193e-08 ] [ 1.385937731650094e-09 -2.557403935180685e-10 8.30602326367081e-10 ] [ -3.583802818975223e-09 1.69401582001272e-08 -1.469220795011223e-09 ] [ 1.27534459045969e-08 -8.841993160138213e-09 1.395676434065497e-08 ] [ 3.921020302367454e-09 4.292467968827755e-09 -3.176813587882731e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.2357678 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.38862476109745e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1686104 2.7469645 2.4418943 ] [ 2.7242136 2.0983407 0.5311725 ] [ 2.3837656 1.7764992 4.1811508 ] [ 2.1926074 5.0767409 2.5645102 ] [ 4.3020234 2.3474159 3.8463206 ] [ 4.1998107 3.6491837 1.9128265 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1686104e-10 2.7469645e-10 2.4418943e-10 ] [ 2.7242136e-10 2.0983407e-10 5.311725000000001e-11 ] [ 2.3837656e-10 1.7764992e-10 4.181150800000001e-10 ] [ 2.1926074e-10 5.0767409e-10 2.5645102e-10 ] [ 4.302023400000001e-10 2.3474159e-10 3.8463206e-10 ] [ 4.1998107e-10 3.6491837e-10 1.9128265e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.71e-05 1.97e-05 -2.49e-05 ] [ -9.3e-06 1.28e-05 1.21e-05 ] [ 3.85e-05 -6.05e-05 4.01e-05 ] [ 1.69e-05 -1e-05 -1.27e-05 ] [ -4.17e-05 2.64e-05 8e-06 ] [ 3.26e-05 1.16e-05 -2.26e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.944075263168e-14 3.156287942976e-14 -3.989419785791999e-14 ] [ -1.490024257344e-14 2.050786074624e-14 1.938633711168e-14 ] [ 6.16837999008e-14 -9.69316855584e-14 6.424728249408e-14 ] [ 2.707678489152e-14 -1.6021766208e-14 -2.034764308416e-14 ] [ -6.681076508736e-14 4.229746278912e-14 1.28174129664e-14 ] [ 5.223095783807999e-14 1.858524880128e-14 -3.620919163008e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.314433 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.453642651340801e-18 } }