{ "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" [ [ 1.463646 2.399639 1.70499 ] [ 1.562869 2.634357 3.942252 ] [ 0.7671946 4.252199 0.5443388 ] [ 2.243771 4.169464 2.448835 ] [ 3.362616 2.323379 2.490002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.463646e-10 2.399639e-10 1.70499e-10 ] [ 1.562869e-10 2.634357e-10 3.942252e-10 ] [ 7.671945999999999e-11 4.252199e-10 5.443388e-11 ] [ 2.243771e-10 4.169464e-10 2.448835e-10 ] [ 3.362616e-10 2.323379e-10 2.490002e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.0334313 -9.2638189 -8.0806286 ] [ -2.6644191 -1.7825943 7.6494903 ] [ -1.5441289 2.2412859 -2.3425656 ] [ 2.3130221 13.5931502 1.3644295 ] [ 10.9289572 -4.7880229 1.4092745 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.447315243446295e-08 -1.484227406090517e-08 -1.294659422428784e-08 ] [ -4.268869990032977e-09 -2.856030911831342e-09 1.225583451969638e-08 ] [ -2.473967223081621e-09 3.590935869508686e-09 -3.753203837010325e-09 ] [ 3.70586993201372e-09 2.177862745346284e-08 2.186057045629834e-09 ] [ 1.751011971556383e-08 -7.671258350235015e-09 2.25790665618961e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.551246 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.530278304070952e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2319115 2.1630119 1.5712364 ] [ 1.581806 2.5883193 4.0155711 ] [ 0.7930982 4.3181108 0.5214003 ] [ 2.2615777 4.4336369 2.4628922 ] [ 3.5317033 2.2759591 2.5593179 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2319115e-10 2.1630119e-10 1.5712364e-10 ] [ 1.581806e-10 2.5883193e-10 4.0155711e-10 ] [ 7.930982e-11 4.3181108e-10 5.214003e-11 ] [ 2.2615777e-10 4.4336369e-10 2.4628922e-10 ] [ 3.531703300000001e-10 2.2759591e-10 2.5593179e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.23e-05 -1.43e-05 1.16e-05 ] [ 8.5e-06 9e-06 -6.1e-06 ] [ -1.11e-05 1.69e-05 -1.68e-05 ] [ 4.1e-06 -1.36e-05 1.47e-05 ] [ -2.38e-05 2e-06 -3.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.572853864384e-14 -2.291112567744e-14 1.858524880128e-14 ] [ 1.36185012768e-14 1.44195895872e-14 -9.77327738688e-15 ] [ -1.778416049088e-14 2.707678489152e-14 -2.691656722944e-14 ] [ 6.568924145279999e-15 -2.178960204288e-14 2.355199632576e-14 ] [ -3.813180357504e-14 3.2043532416e-15 -5.44740051072e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.797586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.370834633347739e-18 } }