{ "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" [ [ 0.9865114 1.002248 2.003773 ] [ 2.302262 0.4465448 0.4828732 ] [ 2.913212 0.9916658 2.458282 ] [ 2.765138 2.782808 0.4747325 ] [ 1.558206 2.989621 2.793764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.865114e-11 1.002248e-10 2.003773e-10 ] [ 2.302262e-10 4.465448e-11 4.828732e-11 ] [ 2.913212e-10 9.916658000000001e-11 2.458282e-10 ] [ 2.765138e-10 2.782808e-10 4.747325e-11 ] [ 1.558206e-10 2.989621e-10 2.793764e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.9428364 -1.0172911 1.7321485 ] [ 2.2310418 -2.2981207 -8.7757068 ] [ 12.1654148 -0.012958 7.1845465 ] [ 0.0672911 0.7037005 0.1627749 ] [ 0.4790888 2.6246692 -0.303763 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.394106312851924e-08 -1.629880016967915e-09 2.775207830453789e-09 ] [ 3.574523011987549e-09 -3.681995257316531e-09 -1.406023226595558e-08 ] [ 1.949114317489431e-08 -2.07610046523264e-11 1.151091243335047e-08 ] [ 1.078122272079149e-10 1.12745248914527e-09 2.607941392330579e-10 ] [ 7.675848746471271e-10 4.205183629573839e-09 -4.866819768640704e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -9.5035596 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.52263810054994e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3987606 1.0638958 1.7916701 ] [ 2.3965993 0.5174816 0.6115239 ] [ 3.3842439 0.9754328 2.7322575 ] [ 2.5321931 2.8884041 0.4041272 ] [ 1.8135325 2.7676734 2.673846 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.987606e-11 1.0638958e-10 1.7916701e-10 ] [ 2.3965993e-10 5.174816e-11 6.115239e-11 ] [ 3.3842439e-10 9.754328e-11 2.7322575e-10 ] [ 2.5321931e-10 2.8884041e-10 4.041272000000001e-11 ] [ 1.8135325e-10 2.7676734e-10 2.673846e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -1e-06 -3e-07 ] [ -8e-07 0.0 -5e-07 ] [ 0.0 3e-07 5e-07 ] [ 5e-07 0.0 -3e-07 ] [ 3e-07 7e-07 6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 -1.6021766208e-15 -4.8065298624e-16 ] [ -1.28174129664e-15 0.0 -8.010883104e-16 ] [ 0.0 4.8065298624e-16 8.010883104e-16 ] [ 8.010883104e-16 0.0 -4.8065298624e-16 ] [ 4.8065298624e-16 1.12152363456e-15 9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -14.103084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.259563146597855e-18 } }