{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4930743 -4.0673805 -1.7441405 ] [ -0.4459367 0.5030151 2.2259022 ] [ 0.4122865 3.027951 -2.1935053 ] [ 0.1431579 0.4919273 1.1200709 ] [ 1.4354374 -0.5617219 3.7293206 ] [ 0.3259169 1.5910355 -2.3420945 ] [ -0.3777877 -0.9848265 -0.7955535 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.392168736577325e-09 -6.516661944997814e-09 -2.794421132490423e-09 ] [ -7.144693550967034e-10 8.059190331293743e-10 3.566288465027286e-09 ] [ 6.605557913714593e-10 4.851312301127981e-09 -3.514382909260891e-09 ] [ 2.293642404628243e-10 7.88154419193268e-10 1.794551409618415e-09 ] [ 2.299824242901938e-09 -8.999776955713556e-10 5.975030276787828e-09 ] [ 5.221764375036115e-10 2.549119880962839e-09 -3.752449051604266e-09 ] [ -6.052826205658041e-10 -1.577865993844291e-09 -1.274617218295613e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.869154 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.023171739307481e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6571808 1.9753615 1.797298 ] [ 2.3210723 2.1836088 4.1649101 ] [ 2.7721266 4.205205 1.0141938 ] [ 1.9187815 4.7952428 3.1694277 ] [ 4.6962008 2.5303878 2.9583691 ] [ 5.1127062 3.6545122 0.9371808 ] [ 3.7308848 4.0404949 4.4333214 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6571808e-10 1.9753615e-10 1.797298e-10 ] [ 2.3210723e-10 2.1836088e-10 4.1649101e-10 ] [ 2.7721266e-10 4.205205000000001e-10 1.0141938e-10 ] [ 1.9187815e-10 4.7952428e-10 3.1694277e-10 ] [ 4.6962008e-10 2.5303878e-10 2.9583691e-10 ] [ 5.1127062e-10 3.6545122e-10 9.371808e-11 ] [ 3.7308848e-10 4.0404949e-10 4.4333214e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0775422 0.1068342 0.7146429 ] [ -0.3358841 -0.0458332 -0.4458928 ] [ 0.2250055 -0.3743642 0.2197142 ] [ 0.2815956 -0.0210999 -0.3570445 ] [ 0.3605521 -0.2610289 -0.6798041 ] [ -0.356031 0.3844816 0.1742864 ] [ -0.097696 0.2110104 0.374098 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.242362999653978e-10 1.711672575418714e-10 1.144984146600712e-09 ] [ -5.381456523184493e-10 -7.343288149645057e-11 -7.143990195430502e-10 ] [ 3.604985516514144e-10 -5.997975689044953e-10 3.520209544977754e-10 ] [ 4.511658868401484e-10 -3.380576648121792e-11 -5.720483504852256e-10 ] [ 5.776681452003436e-10 -4.182144009331412e-10 -1.089166235743985e-09 ] [ -5.704245444800448e-10 6.160074306477772e-10 2.792375954033971e-10 ] [ -1.565262471456768e-10 3.380759296256563e-10 5.993710694880385e-10 ] ] } "relaxed-potential-energy" { "source-value" -21.197447 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.39620540040471e-18 } }