{ "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" [ [ 0.5178768 0.1602588 0.5935764 ] [ 0.4933098 1.000634 2.761993 ] [ 1.438085 2.624316 0.8145388 ] [ 2.471365 1.192312 0.8679319 ] [ 2.522268 2.85035 2.866422 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.178768e-11 1.602588e-11 5.935764e-11 ] [ 4.933098e-11 1.000634e-10 2.761993e-10 ] [ 1.438085e-10 2.624316e-10 8.145388e-11 ] [ 2.471365e-10 1.192312e-10 8.679319e-11 ] [ 2.522268e-10 2.85035e-10 2.866422e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3196511 -0.8661908 -0.1348735 ] [ 0.5049609 0.6159794 -0.1723075 ] [ -14.1778657 19.6869697 -0.4308268 ] [ 15.5054429 -19.0539389 0.7181895 ] [ -0.512887 -0.3828193 0.0198183 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.114314140033003e-09 -1.387790648912049e-09 -2.160911684654688e-10 ] [ 8.090365483981268e-10 9.869077935744116e-10 -2.76067048088496e-10 ] [ -2.271544495738223e-08 3.154200258773799e-08 -6.902606265740775e-10 ] [ 2.484245810952935e-08 -3.052777543973167e-08 1.150666426204042e-09 ] [ -8.217355605122496e-10 -6.133441324510214e-10 3.175241692400064e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -7.2073595 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.154746288860078e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.703614 -0.1966877 1.0630294 ] [ 0.3179499 0.9219016 3.0658946 ] [ 1.846925 3.5088701 0.5645698 ] [ 2.4857474 1.2210445 0.574412 ] [ 2.0886683 2.3727424 2.6365563 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.03614e-11 -1.966877e-11 1.0630294e-10 ] [ 3.179499e-11 9.219016e-11 3.0658946e-10 ] [ 1.846925e-10 3.5088701e-10 5.645698000000001e-11 ] [ 2.4857474e-10 1.2210445e-10 5.744120000000001e-11 ] [ 2.0886683e-10 2.3727424e-10 2.6365563e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-07 5.2e-06 2.9e-06 ] [ 7.8e-06 5.2e-06 -3.1e-06 ] [ -1.3e-06 -3.1e-06 2.03e-05 ] [ 4.3e-06 -1.07e-05 -2e-06 ] [ -1.16e-05 3.4e-06 -1.81e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.28174129664e-15 8.33131842816e-15 4.646312200320001e-15 ] [ 1.249697764224e-14 8.33131842816e-15 -4.96674752448e-15 ] [ -2.08282960704e-15 -4.96674752448e-15 3.252418540224e-14 ] [ 6.889359469440001e-15 -1.714328984256e-14 -3.2043532416e-15 ] [ -1.858524880128e-14 5.44740051072e-15 -2.899939683648e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.846295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.218421013369993e-18 } }