{ "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" [ [ -7.7331142 -30.3538444 -27.146893 ] [ -19.838849 7.0818347 21.9905801 ] [ 27.389793 14.8723004 -29.7842964 ] [ -14.0374677 -3.6216582 12.4451662 ] [ 4.1452821 -36.8724732 66.8446777 ] [ -10.6177416 43.9834527 -55.9481453 ] [ 20.6920974 4.9103881 11.5989106 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.23898148792936e-08 -4.863222024975175e-08 -4.349411765029816e-08 ] [ -3.178534031325426e-08 1.13463500821904e-08 3.523279360432538e-08 ] [ 4.388328635469676e-08 2.382805219470885e-08 -4.771970375221031e-08 ] [ -2.249050274946972e-08 -5.802536144374499e-09 1.993935449188657e-08 ] [ 6.641474121958451e-09 -5.907621499883121e-08 1.070969807182009e-07 ] [ -1.701149749736977e-08 7.046926019858421e-08 -8.963881111529691e-08 ] [ 3.315239496273215e-08 7.867309077691655e-09 1.858350354317492e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.276327 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.447537417274332e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8268688 1.5923647 1.8888011 ] [ 1.5778727 2.4033948 4.1719005 ] [ 2.4094321 4.0061332 0.7476419 ] [ 1.9459192 5.1001691 3.181732 ] [ 5.2327086 2.2927352 2.9008062 ] [ 5.1945517 4.1495126 0.8190991 ] [ 4.0215999 3.8405033 4.7647202 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8268688e-10 1.5923647e-10 1.8888011e-10 ] [ 1.5778727e-10 2.4033948e-10 4.171900499999999e-10 ] [ 2.4094321e-10 4.0061332e-10 7.476419e-11 ] [ 1.9459192e-10 5.1001691e-10 3.181732e-10 ] [ 5.2327086e-10 2.2927352e-10 2.9008062e-10 ] [ 5.1945517e-10 4.149512600000001e-10 8.190991e-11 ] [ 4.0215999e-10 3.8405033e-10 4.7647202e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.62e-05 -0.0 -4.9e-06 ] [ -1.47e-05 -2.45e-05 5.1e-06 ] [ -3.21e-05 2.64e-05 1.1e-06 ] [ 1.4e-05 -1.5e-06 -2.42e-05 ] [ 7.53e-05 6.53e-05 -3.4e-05 ] [ 1.66e-05 -6.29e-05 3.55e-05 ] [ -1.3e-05 -2.9e-06 2.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.40205604908e-14 0.0 -7.850665506599998e-15 ] [ -2.35519965198e-14 -3.925332753299999e-14 8.1711008334e-15 ] [ -5.14298699514e-14 4.22974631376e-14 1.7623942974e-15 ] [ 2.243047287599999e-14 -2.403264951e-15 -3.877267454279999e-14 ] [ 1.206439005402e-13 1.046221342002e-13 -5.447400555599999e-14 ] [ 2.65961321244e-14 -1.007769102786e-13 5.6877270507e-14 ] [ -2.082829624199999e-14 -4.6463122386e-15 3.4446797631e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.447223 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.115788628678738e-18 } }