{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.5083405 -8.5601775 -1.9671871 ] [ -9.3513231 3.6330021 -11.229663 ] [ -7.0682191 -1.9199181 6.7759135 ] [ 9.261778 -2.7484398 -2.0077663 ] [ 3.5607213 -1.4832701 2.1886832 ] [ 2.4732972 0.4235607 -0.950852 ] [ 9.6320862 10.6552429 7.1908718 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.363186423090578e-08 -1.371491626039819e-08 -3.151781180359352e-09 ] [ -1.498247124436698e-08 5.820711027937303e-09 -1.799190351806279e-08 ] [ -1.132453539271202e-08 -3.076047893670757e-09 1.08562101942631e-08 ] [ 1.483900417863978e-08 -4.403485991236228e-09 -3.216796225890119e-09 ] [ 5.704904420044584e-09 -2.376460676551678e-09 3.50665705337773e-09 ] [ 3.962658950130102e-09 6.786190510296826e-10 -1.523432844240922e-09 ] [ 1.543230331917031e-08 1.707158106332519e-08 1.152104668113001e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.7146844 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.556464022413047e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1754491 1.6422488 3.0166282 ] [ 1.7324743 4.076088 2.3064891 ] [ 1.3723338 3.3044076 4.856698 ] [ 4.6958842 1.7943564 2.6479831 ] [ 3.8145985 2.1898271 5.0044228 ] [ 4.2225756 4.0590449 1.7726563 ] [ 3.5224575 4.6052131 4.1649725 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1754491e-10 1.6422488e-10 3.0166282e-10 ] [ 1.7324743e-10 4.076088e-10 2.3064891e-10 ] [ 1.3723338e-10 3.3044076e-10 4.856698e-10 ] [ 4.6958842e-10 1.7943564e-10 2.6479831e-10 ] [ 3.8145985e-10 2.1898271e-10 5.004422800000001e-10 ] [ 4.2225756e-10 4.0590449e-10 1.7726563e-10 ] [ 3.5224575e-10 4.6052131e-10 4.1649725e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.7e-05 -1.9e-06 2.04e-05 ] [ -5.2e-06 2.98e-05 -3.8e-06 ] [ 2.2e-06 -1.34e-05 -2.8e-06 ] [ 2.4e-06 1.97e-05 6.1e-06 ] [ -1.84e-05 -5.1e-06 -1.1e-06 ] [ -1.22e-05 -8.2e-06 1.38e-05 ] [ 1.42e-05 -2.08e-05 -3.26e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.72370025536e-14 -3.04413557952e-15 3.268440306432e-14 ] [ -8.33131842816e-15 4.774486329984001e-14 -6.08827115904e-15 ] [ 3.52478856576e-15 -2.146916671872e-14 -4.48609453824e-15 ] [ 3.84522388992e-15 3.156287942976e-14 9.77327738688e-15 ] [ -2.948004982272e-14 -8.17110076608e-15 -1.76239428288e-15 ] [ -1.954655477376e-14 -1.313784829056e-14 2.211003736704e-14 ] [ 2.275090801536e-14 -3.332527371264e-14 -5.223095783807999e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.272513 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.767361651106407e-18 } }